Center for High Performance Computing Bibliography

(as of February 2015)

2015 (6) Fleming, A. M., Alshykhly, O., Orendt, A.M., Burrows, C.J. (2015). "Computational studies of electronic

circular dichroism spectra predict absolute configuration assignments for the guanine oxidation product 5-carboxamido-5-formamido-2-iminohydantoin." Tetrahedron Lett. submitted.

Nguyen, B. T., Samimi, A., Simpson, J.J. (2015). A polynomial chaos approach for modeling uncertainty propagation in 3D-FDTD magnetized cold plasma. IEEE International Symposium on Electromagnetic Compatibility and Signal Integrity. Santa Clara, CA.

Nguyen, B. T., Samimi, A., Simpson, J.J. (2015). "Recent advances in FDTD modeling of electromagnetic wave propagation in the ionosphere." Applied Computational Electromagnetics Society Journal in press.

Shen, P. S., Park, J., Qin, Y., Li, X., Parsawar, K., Larson, M.H., Cox, J., Cheng, Y., Lambowitx, A.M., Weissman, J.S., Brandman, O., Frost, A. (2015). "Rqc2p and 60S ribosomal subunits mediate mRNA-independent elongation of nascent chains." Science 347(6217): 75 - 78.

Simpson, J. J. (2015). A summary of the major global 3-D FDTD modeling capabilities to-date. International Conference on Computational Electromagnetics. Hong Kong.

Simpson, J. J. (2015). A summary of the major global 3-D FDTD modeling capabilities to-date. International Conference on Computational Electromagnetics. Hong Kong, China.

2014 (66) Armentrout, P. B., Austin, C.A., Rodgers, M. T. (2014). "Alkali Metal Cation Interactions with 15-Crown-5

in the Gas Phase: Revisited." J. Phys. Chem. A. submitted. Armentrout, P. B. (2014). Mass Spectrometric Methods for the Determination of Thermodynamic Data.

The Encyclopedia of Mass Spectrometry. Volume 9: The History of Mass Spectrometry. A. Yergey, Elsevier.

Armentrout, P. B., Yang, B., Rodgers, M.T. (2014). "Metal Cation Dependence of Interactions with Amino Acids: Bond Dissociation Energies of Rb+ and Cs+ to the Acidic Amino Acids and Their Amide Derivatives." J. Phys. Chem. B 118(16): 4300 - 4314.

Armentrout, P. B. S., E. M. S. (2014). "Thermodynamics and Mechanism of Protonated Cysteine Decomposition: A Guided Ion Beam and Computational Study." J. Am. Soc. Mass Spectrom submitted.

Bess, E. N., DeLuca, R.J., Tindall, D.J., Oderinde, M.S., Roizen, J.L., DuBois, J., Sigman, M.S. (2014). "Analyzing Site Selectivity in Rh2(esp)2-Catalyzed Intermolecular C–H Amination Reactions." J. Am. Chem. Soc. 136: 5783 - 5789.

Borodin, O., Bedrov, D. (2014). "Interfacial Structure and Dynamics of the Lithium Alkyl Dicarbonate SEI Components in Contact with the Lithium Battery Electrolyte." J. Phys. Chem. C 118(32): 18362-18371.

Bradford, W., Hurdle, J.F., LaSalle, B., Facelli, J.C. (2014). "Development of a HIPAA-compliant environment for translational research data and analytics." J Am Med Informatics 21: 185 - 189.

Campbell, L. S., WJ (2014). "Fine-scale orographic precipitation variability and gap-filling radar potential in Little Cottonwood Canyon, Utah." Wea. Forecasting (in review).

Chappanda, K., Smith, Y.R., Rieth, L.W., Tathireddy, P., Misra, M., Mohanty, S.K. (2014). "Effect of sputtering parameters on the morphology of TiO2 nanotubes synthesized from thin Ti film on Si substrate." IEEE Transactions on Nanotechonolgy September 15.

Chappanda, K., Smith, Y.R., Rieth, L.W., Tathireddy, P., Misra, M., Mohanty, S.K. (2014). "TiO2-WO3 Composite Nanotubes from Co-Sputtered Thin Films on Si Substrate for Enhanced Photoelectrochemical Water Splitting." J of Electrochemical Society 161(9): H431 - H437.

Cherukuru, N., W., Rotunno, R., Whiteman, C.D. (2014). "Instrument configuration for Dual Doppler Lidar co-planar scans: METCRAX II." J. appl Remote Sens submitted.

Edalatpour, S., Francoeur, M. (2014). The Thermal Discrete Dipole Approximation (T-DDA) with Surface interaction: Formulation and Preliminary Results. NanoRad 2014. Shanghai, China.

Eiring, A. M., et al. (2014). "Combined STAT3 and BCR-ABL1 inhibition induces synthetic lethality in therapy-resistant chronic myeloid leukemia." Leukemia.

Farber, S., Neutens, T., Carrasco, J.A., C. Rojas (2014). "The Spatial Distribution of Face-to-face Social Interactions." Environment and Planning B accepted.

Good, S. P., Mallia, D.V., Lin, J.C., Bowen, G.J. (2014). "Stable Isotope Analysis of Precipitation Samples Obtained via Crowdsourcing Reveals the Spatioitemporal Evolution of Superstorm Sandy." PLoS ONE 9(3): e91117.

Hasan, M., Samimi, A., Sensale-Rodriguez, B., Simpson, J.J. (2014). Photonic nanojets: Subwavelength detection, phototiodes, and nanoapertures. International Conference on Metamaterials, Photonic Crystals, and Plasmonics (META). Singapore.

Hasan, M., Simpson, J.J. (2014). Super-enhanced optical energy concentration through a subwavelength aperture using a photonic nanojet. URSI National Radio Science Meeting.

Hasan, M., Simpson, J.J. (2014). "Three-dimensional subwavelength confinement of a photonic nanojet using a plasmonic nanoantenna gap." Microwave and Optical Technology Letters 56(11): 2700 - 2706.

Jadulco, R., Koch, M., Kakule, T., Schmidt, E., Orendt, A., He, H., Carter, G., Larson, E., Pond, C., Matainaho, T., Barrows, L. (2014). "Isolation of Pyrrolocins A-C: cis- and trans-DecalinTetramic Acid Antibiotics from an Endophytic Fungal-Derived Pathway." Journal of Natural Products submitted.

Jin, J., Miller, J.D., Dang, L.X. (2014). "Molecular Dynamics Simulation and Analysis of Interfacial Water at Selected Sulfide Mineral Surfaces under Anaerobic Conditions." International Journal of Mineral Processing 128: 55-67.

Jones, D. E., Igo, S., Hurdle, J., Facelli, J.C. (2014). "Automatic Extraction of Nanoparticle Properties Using Natural Language Processing: NanoSifter an Application to Acquire PAMAM Dendrimer Properties." PLoS ONE 9(1): e83932.

Kim, Y., Misra, M., Mohanty, S.K. (2014). "Titanium Dioxide Nanotube Based Sensing Platform for Detection of Mycobacterium tuberculosis Volatile Biomarkers." Nanotechnology submitted.

Lareau, M., Horel, J.D. (2014). "Turbulent erosion of cold-air pools." J. Atmos. Sci. in press. Lareau, N. P., Horel, J. D (2014). "Dynamically induced displacements of a persistent cold-air pool."

Bound.-Layer Meteor. accepted. Lareau, N. P. (2014). The Dynamics of persistent cold-air pool breakup. Ph.D., University of Utah. Lawson, J., Horel, J. (2014). "Analysis of the 1 December 2011 Wasatch downslope windstorm." Wea.

Forecasting accepted. Levkova, L., DeTar, C. (2014). "Quark-gluon plasma in an external magnetic field." Phys. Rev. Lett. 112:

012002. Li, Z., Pu, Z., Sun, J., Lee, W-C. (2014). "Impacts of 4D-VAR Assimilation of Airborne Doppler Radar

Observations on Numerical Simulations of the Genesis of Typhoon Nuri (2008)." J. of Applied Meteorology and Climatology under revision.

Li, Z., Pu, Z. (2014). "Numerical simulations of the genesis of Typhoon Nuri (2008): Sensitivity to initial conditions and implications for the roles of intense convection and moisture conditions." Wea. Forecasting under revision.

Liu, J., Wang, X., Depci, T., Miller, J.D. (2014). The Edge Surface of Kaolinite and Its Surface Chemistry. SME Annual Meeting. Salt Lake City, UT. Preprint No. 14-113.

Liu, J., Miller, J.D., Yin, X., Gupta, V., Wang, X. (2014). "Influence of Ionic Strength on the Surface charge and Interaction of Layered Silicate Particles." Journal of Colloid and Interface Science 432: 270-277.

Liu, J., Sandaklie-Nikolova, L., Wang, X., Miller, J.D. (2014). "Surface Force Measurements at Kaolinite Edge Surfaces Using Atomic Force Microscopy." Journal of Colloid and Interface Science: 35 - 40.

Lund, M. D., Lambert, C., Jevremovic, T. (2014). High Performance Computing Simulations of Radiation

shielding with GEANT4: Simulating Space Radiation Environment. Nuclear and Emerging Technologies for Space (NETS) 2014. Infinity Science Center, Mississippi.

Mallia, D. V., Lin, J.C., Urbanski, S., Ehleringer, J., Nehrkorn, T. (2014). "Impacts of upwind wildfire emissions on CO, CO2, and PM2.5 concentrations in Salt Lake City, Utah." Journal of Geophysical Research: Atmospheres 120.

Massey, J. S., WJ; Hoch, SW; Knievel, JC (2014). "Sensitivity of near-surface temperature forecasts to soil properties over a sparsely vegetated dryland region." J Appl Meteor & Clim online release.

Miller, J. D., Zhang, Z., Wang, X. (2014). Surface Chemistry Aspects of Bastnaesite (Ce, LaFCO3) Flotation with Octyl Hydroxamate. DOE 2014 Separation and Analysis PI Meeting. Gaithersburg, Maryland.

Milo, A., Bess, E. N., Sigman, M.S. (2014). "Interrogating selectivity in catalysis using molecular vibrations." Nature 507: 210 - 215.

Neeman, E. M. (2014). Analysis and simulation of a cold-air pool and high wintertime ozone episode in Utah’s Uintah Basin, University of Utah.

Neemann, E. M., Crosman, E.T., Horel, J.D., Avey, L. (2014). "Simulations of a cold-air pool associated with elevated wintertime ozone in the Uintah Basin, Utah." Atmos. Chem. Phys. Discuss. 14: 15953-16000.

Nguyen, B. T., Furse, C., Simpson, J.J. (2014). "A 3-D stochastic FDTD model of electromagnetic wave propagation in magnetized ionosphere plasma." IEEE Transactions on Antennas and Propagation accepted.

Nguyen, B. T., Simpson, J.J. (2014). A 3-D Stochastic FDTD model of electromagnetic wave propagation in magnetized ionosphere plasma. Proc. URSI National Radio Science Meeting. Boulder, CO.

Nguyen, B. T., Furse, C., Simpson, J.J. (2014). Analysis of Electromagnetic Field Variability in Magnetized Ionosphere Plasma using the Stochastic FDTD Method. IEEE AP-S International Symposium and USNC/URSI National Radio Science Meeting. Memphis, Tennessee.

Nguyen, B. T., Simpson, J.J. (2014). An efficient stochastic approach to uncertainty quantification in 3-D FDTD magnetized cold plasma. International Conference on Electromagnetics in Advanced Applications (ICEAA). Palm Beach, Aruba.

Olson, J. K., Ivanov, A.S., Boldyrev, A. I. (2014). "All-Nitrogen Analogue of Ozone: Li3N3 Species." Chem. Eur. J. 20: 6636 - 6640.

Pazmino, E., Trauscht, J., Dame, B., Johnson, W. P. (2014). "Power Law Size-Distributed Heterogeneity Explains Colloid Retention on Soda Lime Glass in the Presence of Energy Barriers." Langmuir 30(19): 5412 - 5421.

Pazmino, E., Trauscht, J., Johnson, W.P. (2014). "Release of Colloids from Primary Minimum Contact under Unfavorable Conditions by Perturbations in Ionic Strength and Flow Rate." Environmental Science & Technology 48(16): 9227 - 9235.

Price, M., Ovcharenko, A., Thangaraj, R. (2014). Deformation of an ultra-thin diamond-like carbon coating on a magnetic recording head under combined loading. ASME 2014 Conference on Information Storage and Processing Systems, Santa Clara University, CA, USA.

Price, M., Ovcharenko, A., Thangaraj, R., Raeymaekers, B. (2014). "Deformation of ultra-thin diamond-like carbon coatings under combined loading on a magnetic recording head." Tribology Letters accepted.

Price, M., Ovcharenko, A., Thangaraj, R., Raeymaekers, B. (2014). Simulating nano-indentation of ultra-thin diamond-like carbon coatings. 2014 STLE Tribology Frontiers conference. Hyatt Regency Hotel, Chicago, IL.

Ray, R., Sarma, B., Mohanty, S.K., Misra, M. (2014). "Theoretical and Experimental study of Sensing Triacetone Triperoxide (TATP) explosive through nanostructured TiO2 substrate." Talanta 118: 304 - 311.

Sadeghirad, A., Liu, F. (2014). "A three-layer-mesh bridging domain for coupled atomistic–continuum simulations at finite temperature: Formulation and testing." Appl. Mech. Eng. 268: 299.

Samimi, A., Simpson, J.J. (2014). "An efficient 3-D FDTD model of electromagnetic wave propagation in magnetized plasma." IEEE Trans. Antennas and Propagation accepted.

Shenkel, M. R. H., J.B.; Moran, M.J.; Robertson, L.A., Bedrov, D.; Gin, D.L (2014). "Effect of counter-ion

on the thermotropic liquid crystal behavior of bis(alkyl)-tris(imidazolium salt) compounds." Liquid Crystals submitted.

Skorczewski, T., Griffith, B., Fogelson, A. (2014). "Multi-bond models of platelet adhesion and cohesion." AMS Contemporary Series on Mathematics - Biofluids in press.

Staten, P. W., Reichler, T., Lu, J. (2014). "The transient circulation response to radiative forcings and surface warming." J. Climate accepted.

Thatcher, L., Pu, Z. (2014). "Characteristics of tropical cyclone genesis forecasts and underdispersion in high-resolution ensemble forecasting with a stochastic kinetic energy backscatter scheme." J. Meteor. Soc. Japan submitted.

Thibault, J. C., Roe, D.R., Facelli, J.C., Cheatham, T.E. (2014). "Data model, dictionaries, and desiderata for biomolecular simulation data indexing and sharing." Journal of Cheminformatics in press: 4.

Vellore, N. A., Baron, R. (2014). "Epigenetic molecular recognition: a biomolecular modeling perspective." ChemMedChem 9: 484 - 494.

Wen, J., Scoles, D.R., Facelli, J.C. (2014). "Structure Prediction of Polyglutamine Disease Proteins: Comparison of Methods." BMC Bioinformatics 15 (Suppl 7)(S11).

Whittaker, S. (2014). Seismic Array Constraints on the D” discontinuity beneath Central America. M.S., University of Utah.

William, P. J., Markus, H. (2014). "Upscaling colloid transport and retention under unfavorable conditions: Linking mass transfer to pore and grain topology." Water Resources Research 49(9): 5328-5341.

Zabriskie, M. S., et al. (2014). "BCR-ABL1 Compound Mutations Combining Key Kinase Domain Positions Confer Clinical Resistance to Ponatinib in Ph Chromosome-Positive Leukemia." Cancer Cell 26: 428 - 442.

Zhang, H., Pu, Z. (2014). "Influence of assimilating surface observations on the predicton of landfalls of Hurricane Katrina (2005) with ensemble Kalman filter." Mon. Wea. Rev. in press.

Zhang, X., Du, H., Wang, X., Miller, J.D. (2014). Octyl Hydroxamate Adsorption by Bastnaesite - the Hydrophobic Surface State. SME Annual Meeting. Salt Lake City, Utah.

Zhang, X. (2014). Surface Chemistry Aspects of Fluorite and Bastnaesite Flotation Systems. Ph.D., University of Utah.

Zheng, Z., Wallace, J. (2014). "Anisotropic Lyman-alpha Emission." Astrophysical Journal submitted. 2013 (104) Abu-Zayyad, T., et al (2013). "The energy spectrum of ultra-high-energy cosmic rays measured by the

Telescope Array FADC fluorescence detectors in monocular mode." Astroparticle Physics 48: 16 - 24.

Alcott, T. I., Steenburgh, W. J. (2013). "Orographic influences on a Great Salt Lake-effect snowstorm." Mon. Wea. Rev. 141: 2432 - 2450.

Armentrout, P. B. (2013). "The Bond Energy of ReO+: Guided Ion-Beam and Theoretical Studies of the Reaction of Re+ (7S) with O2." J. Chem. Phys. 139: 084305.

Armentrout, P. B., Tang, B., Rodgers, M.T. (2013). "Metal Cation Dependence of Interactions with Amino Acids: Bond Energies of Rb+ and Cs+ to Met, Phe, Tyr, and Trp." J. Phys. Chem. B 117: 3771 - 3781.

Armentrout, P. B. (2013). "The Power of Accurate Energetics (or Thermochemistry: What is it Good for?)." J. Am. Soc. Mass Spectrom. 24: 173 - 185.

Armentrout, P. B., Rodgers, M.T. (2013). "Thermochemistry of Non-Covalent Ion-Molecule Interactions." Mass Spectrometry 2: S0005.

Armentrout, P. B. L., F.-X (2013). "The Bond Energy of IrO+: Guided Ion-Beam and Theoretical Studies of the Reaction of Ir+ (5F) with O2." J. Phys Chem A 117(7754 - 7766).

Armentrout, P. B. P., L.; Hinton, C.; Citir, M. (2013). "Activation of Methane by Os+: Guided Ion Beam and Theoretical Studies." ChemPlusChem (Memorial Issue for Detlef Schröder) 78: 1157 - 1173.

Ashton, N. R., DR; Weiss, RB; Cheatham, TE; Steward, RJ (2013). "Self-tensioning aquatic caddisfly silk: Ca2+-dependent structure, strength, and load cycle hysteresis." Biomacromoleculres 14: 3668 - 3681.

Asparouhova, E., Bessembinger, H., Kalcheva, I. (2013). "Noisy Prices and Inference Regarding Returns." Journal of Finance 68(2): 665 - 714.

Austin, D. (2013). Verification and Validation of a geomechanical model aimed at simulating wellbore completion via shape-charge jet perforation of metal and penetration into sandstone. Ph.D. Dissertation, University of Utah.

Baron, R. (2013). "Fast Sampling of A-to-B Protein Global Conformational Transitions: From Galileo Galilei to Monte Carlo Anisotropic Network Modeling." Biophysical Journal 105: 1545 - 1546.

Beckvermit, J., Peterson, J., Harman, T., Bardenhage, S., Wight, C., Meng, Q., Berzins, M. (2013). "Multiscale Modeling of Accidental Explosions and Detonations, Computing in Science and Engineering." Computing in Science and Engineering July: 76 - 86.

Bergonzo, C., Galindo-Murillo, R., Cheatham, T.E. (2013). "Molecular modeling of nucleic acid structure: Electrostatics and solvation." Current Protocols Nucleic Acid Chemistry 55: 7.9.1 - 7.9.27.

Bergonzo, C., Galindo-Murillo, R., Cheatham, TE (2013). "Molecular modeling of nucleic acid structure: Energy and Sampling." Current Protocols Nucleic Acid Chemistry 54: 7.8.1 - 7.8.21.

Bergonzo, C. H., N; Roe, D; Swails, J; Roitberg, AE; Cheatham, TE (2013). "Multi-dimensional replica exchange molecular dynamics yields a converged ensemble of an RNA tetranucleotide." J Chem Theor Comput 10(1): 492 - 499.

Bogenschutz, P. A., Krueger, S.K. (2013). "A simplified PDF parameterization of subgrid-scale clouds and turbulence for cloud-resolving models." J. Adv. Model. Earth Syst. 5(2): 195 - 211.

Brown, S., Thorne, M.S (2013). "Viterbi Sparse Spike Detection." Geophysics 78(4): 1 - 13. Charlton-Perez. A., e. a. (2013). "On the lack of stratospheric dynamical variability in low-top versions of

the CMIP5 models." J. Geophys. Res. Cheatham, I., T.E., and Case, D.A. (2013). "Twenty-five years of nucleic acid simulations." Biopolymers

99: 969 - 977. Chen, D. P., J.H.; Hooper, J.B.; Klittnick, A.; Shen, Y.; Korblva, E.; Bedrov, D., Walba, D.M.; Glaser, M.A.;

Maclennan, J.E., Clark, N.A. (2013). "A Twist-bend Chiral Helix of 8nm Pitch in a Nematic Liquid Crystal of Achiral Molecular Dimers." Proc. Natl. Acad. Sci.

Chen, L., Wang, Z.F., Liu, F. (2013). "Robustness of two-dimensional topological insulator states in bilayer bismuth against strain and electrical field." Phys. Rev. B 87: 235420.

Crosman, E. T., N.P. Lareau, Horel, J.D. (2013). 2013 Large-Eddy Simulations of Cold Air Pools in Utah’s Salt Lake Valley. Western Air Western Air Quality Modeling Workshop – Technical Methods and Applications. Boulder, CO.

Davis, K., Price, R.C., Facelli, J.C. (2013). Implementing public health analytical services: Grid enabling of MetaMap. 26th IEEE International Symposium on Computer-Based Medical Systems.

Duan, H. X., Li, Y. H., Pu, Z. (2013). "An application of assimilated dust concentration data and AMSU Satellite radiance data in GRAPES_SDM model." J. of Desert Research 4: 1150 - 1159.

Faber, S. (2013). Social Equity in Distance Based Transit Fares. Oregon Transportation Summit. Portland, OR.

Faber, S., Bartholomew, K., Li, X., Paez, A., Nurul Habib, K.M. (2013). Social Equity in Distance Based Transit Fares. GIS in Transit Conference. Washington, D.C.

Farber, S., Bratholomew, K., Li, X., Paez, A., Nural Habib, K.M. (2013). "Social Equity in Distance Based Transit Fares." Transportation Research Board.

Farber, S., Li, X. (2013). "Urban Sprawl and Social Interaction Potential: an Empirical Analysis of Large Metropolitan Regions throughout the United States." Journal of Transport Geography 31: 267 - 277.

Fleming, A. M., Orendt, A.M., He, Y., Zhu, J., Dukor, R., Burrows, C.J. (2013). "Reconciliation of Chemical, Enzymatic, spectrosopic and Computational Data to Assign the Absolute Configuration of the DNA Base Lesion Spiroiminodihydantoin." J of American Chemical Society 135: 18191 - 18204.

Galindo-Murillo, R. B., C; Cheatham, TE (2013). "Molecular modeling of nucleic acid structure." Current Protocols Nucleic Acid Chemistry 54: 7.5.1 - 7.5.13.

González, S. I., Oña, O.B., Ferraro, M.B., Facelli, J.C. (2013). "Structure and electronic properties of lithium-silicon clusters." Computational and Theoretical Chemistry 1024: 61 - 68.

Hall, M., Beckvermit, J., Wight, C., Harman, T., Berzins, M. (2013). The Influence of an Applied Heat Flux on the Violence of Reaction of an Explosive Device. XSEDE 2013, ACM.

Hasan, M. S., JJ (2013). Lightsabers (‘laser swords’) for improving photodetector speed and responsivity. URSI National Radio Science Meeting, Boulder, CO.

Hasan, M. S., JJ (2013). "Photonic nanojet-enhanced nanometer-scale germanium photodiode." Applied Optics 52(22): 5420 - 5425.

Henriksen, N. R., DR; Cheatham, TE (2013). "Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulation." J Phys Chem B 117: 4014 - 4027.

Hinton, C. S. C., M.; Armentrout, P. B. (2013). "Guided Ion-Beam and Theoretical Studies of the Reaction of Os+ (6D) with O2: Adiabatic and Nonadiabatic Behavior." Int. J. Mass Spectrom. (Memorial Issue for Detlef Schröder) 354 - 355: 87 - 98.

Jayamohan, H., Smith, Y. R., Gale, B.K., Misra, M., Mohanty, S. K. (2013). "Platinum functionalized Titania Nanotube Array Sensor for Detection of Trichloroethylene in Water." IEEE Transactions.

Jensen, K. (2013). SPdKS analysis of ultra-low velocity zones beneath the western Pacific. M.S., University of Utah.

Jensen, K. J. T., M.S.; Rost, S. (2013). "SPdKS analysis of ultralow-velocity zones beneath the western Pacific." Geophys. Res. Lett 40: 1 - 5.

Kamojjala, K., Brannon, R. (2013). "Data relocalization to mitigate slow convergence caused by under-resolved stress fields in computational damage mechanics." J Eur Ceram Soc 34(11): 2723 - 2730.

Kamojjala, K., Lacy, J. M., Brannon, R.M. (2013). Effects of Statistical Variability of Strength and Scale Effects on the Convergence of Unnotched Charpy and Taylor Anvil Impact Simulations. ASME Verification and Validation Symposium. Las Vegas, NV.

Kochanski, A., Jenkins, M.A., Krueger, S., Mandel, J., Beezley, J. (2013). "Real time simulation of 2007 Santa Ana fires." Forest Ecology and Management 294: 136 - 149.

Krizmanic, J., Bergman, D., Sokolsky, P. (2013). The Non-Imaging CHErenkov Array (NICHE): A TA/TALE Extension to Measure the Flux and Composition of Very-High Energy Cosmic Rays. The 33rd International Cosmic Ray Conference, Rio de Janeiro, Brazil.

Kulkarni, R. A., et al (2013). "Substrate selection influences molecular recognition in a screen for lymphoid tyrosine phosphatase inhibitors." Chembiochem 14: 1640 - 1647.

Kulkarni RA, S. S., Vellore NA, Bliss MR, Krishnamurthy D, Baron R, Bottini N, Barrios AM (2013). "Thiuram Disulfides as Pseudo-irreversible Inhibitors of the Lymphoid Tyrosine Phosphatase." Chem Med Chem 8: 1561 - 1568.

Lapoutre, V. J. F. R., B.; van der Meer, A. F. G.; Oomens, J.; Bakker, J. M. Sweeney, A.; Mookherjee, A.; Armentrout, P. B. J. (2013). "Structures of the Dehydrogenation Products of Methane Activation by 5d Transition Metal Cations." Chem A 117: 4115 - 4126.

Lehner, M., Rotunno, R., Whiteman, C. D. (2013). Initial simulations of flow over a small crater basin in preparation for an upcoming field experiment. 32nd International Conference on Alpine Meteorology. Kranjska Gora, Slovenia.

Lehner M., R., R., Whiteman, C.D. (2013). Initial simulations of flow over a small crater basin in preparation for an upcoming field experiment. 32nd International Conference on Alpine Meteorology. Kranjska Gora, Slovenia.

Li B, Z. S., Rogers KE, de Oliveira CAF, Baron R, Cheng LT, McCammon JA (2013). "Variational Implicit-Solvent Modeling of Host-Guest Binding: A Case Study on Curcubit[7]uril." J Chem Theor Comput 9: 4195 - 4204.

Li, W.-L. I., AS; Federic, J; Romanexcu, C; Cernusak, I; Boldyrev, AI; Wang, L-S (2013). "On the way to the highest coordination number in the planar metal-centred aromatic Ta©B10- cluster: Evolution of the Structures of TaBn- (n=3-8)." J Chem Physics 139: 104312.

Liu, J., Wang, X., Miller, J.D. (2013). Surface Chemistry Analysis of Collector Adsorption in Kaolinite Flotation Systems. SME Annual Meeting. Denver, Colorado.

Lund, A. M., Orendt, A.M., Pagola, G.I., Ferraro, M.B., Facelli, J.C. (2013). "Optimization of crystal structures of archetypical pharmaceutical compounds: A plane-wave DFT-D study using Quantum

Espresso." Crystal Growth and Design 13(5): 2181 - 2189. Mejia, J. A. (2013). Characterization, Analysis and Simulation of Fine Coal Filtration. MS, University of

Utah. Mookherjee, A. A., P. B. (2013). "Role of Methylation on the Thermochemistry of Alkali Metal Cation

Complexes of Amino Acids: N-Methyl Proline." Int. J. Mass Spectrom. 345-347: 109 - 119. Neuten, T. S., Farber, M., Delafontaine, M., Boussauw, K. (2013). "Spatial Variation in the Potential for

Social Interaction: A Case Study in Flanders (Belgium)." Computers, Environment and Urban Systems 41: 318 - 331.

Nguyen, B. T., Simpson, J.J. (2013). A stochastic FDTD model of electromagnetic wave propagation in magnetized ionospheric plasma. IEEE AP-S International Symposium and USNC/URSI National Radio Science Meeting. Orlando, FL.

Oier, L., Matxain, J.M., Ruiperez, F., Uglade, J.M., Armentrout, P.B. (2013). "Quantum chemical study of the reactions between Pd+/Pt+ and H2O/H2S." Chem. Eur. J. 19: 8832 - 8838.

Olson, J. K., Boldyrev, A.I. (2013). "Planar to 3D Transition in the B6Hy Anions." J Phys Chem A 117(7): 1614 - 1620.

Orendt, A. M., Pimienta, I.S.O., Badu, S. R., Solum, M.S., Pugmire, R.J., Facelli, J.C. (2013). "Three-dimensional Structure of the Siskin Green River Oil Shale Kerogen Model: A comparison between Calculated and Observed Properties." Energy & Fuels 27(2): 702 - 710.

Price, M. O., A; Thangaraj, R; Raeymaekers, B (2013). Delamination of ultra-thin diamond-like carbon coatings on magnetic recording heads under normal loading. 23rd ASME Annual Conference on Information Storage and Process Systems, Santa Clara University, CA, USA.

Prisbrey, K. (2013). Experimental Measurement & Modeling Predictions of Performance of Surfactant Corrosion Inhibitors. NACE International - 2013, Orlando, FL USA.

Pu, Z., Zhang, H., Anderson, J.A. (2013). "Ensemble Kalman filter assimilation of near-surface observations over complex terrain: Comparison with 3DVAR for short-range forecasts." Tellus A 65: 19620.

Qiu, S. (2013). Semileptonic B D decay at nonzero recoil with 2+1 flavor of improved staggered quarks. Ph.D., University of Utah.

Rajan, N. S., Gouripeddi, R., Facelli, J.C. (2013). Implementing public health analytical services: Grid enabling of MetaMap. 26th IEEE International Symposium on Computer-Based Medical Systems.

Rajan, N. S., Gouripeddi, R., Facelli, J.C. (2013). A service oriented framework to assess the quality of electronic health data for clinical research. 2013 IEEE International Conference on Healthcare Informatics.

Robertson JC, H. N., Tortorici MB, Ciossani G, Borrello MT, Vellore NA, A Ganesan, Mattevi A, Baron R (2013). "Expanding the Druggable Space of the LSD1/CoREST Epigenetic Target: New Potential Binding Regions for Drug-Like Molecules, Peptides, Protein Partners, and Chromatin." PLoS Comput Biol 9(e1003158).

Roe, D. C., TE (2013). "PTRAJ and CPPTRAJ: Software for processing and analysis of molecular dynamics trajectory data." J Chem Theor Comput 9: 3084 - 3095.

Rogers, K. O.-S., JM; Baron, R; Fajer, M.; deOliveira, CAF; McCammon, JA (2013). "On the Role of Dewetting Transitions in Host-Guest Binding Free Energy Calculations." J. Chem. Theory Comp. 9: 46 - 53.

Romanescu, C. G., TR; Li, W-L; Boldyrev, AI; Wang, L-S (2013). "Transition-Metal-Centered Monocyclic Boron Wheel Clusters (M©Bn): A New Class of Aromatic Borometallic Compounds." Acc Chem Res 46: 350 - 358.

Romanescue, C. G., TR; Li, W-L; Boldyrev, AI; Wang, LS (2013). "Geometric and electronic factors in the rational design of transition-metal-centered boron molecular wheels." J Chem Physics 138: 134315.

Rutz, J. J., Steenburgh, W.J., Ralph, F.M. (2013). "Climatological characteristics of atmospheric rivers and their inland penetration over the western United States." Mon. Wea. Rev. 142: 905 - 921.

Sarma, B., Jurovitzki, A.L., Smith, Y.R., Mohanty, S.K., Misra, M. (2013). "Redox-Induced Enhancement in Interfacial Capacitance of Titania Nanotube/Bismuth Oxide Composite Electrode." ACS Appl. Mater. Interfaces 5(5): 1688 - 1699.

Sarma, B., Smith, Y.R., Jurovitzki, A.L., Ray, R. S., Mohanty, S. K., Misra, M. (2013). "Supercapacitance Behavior of Porous Oxide Layer Grown on 302-type Stainless Steel Substrate." J of Power Sources 236(August): 103 - 111.

Sarswat, P. K., Sathyapalan, A., Zhu, Y., Free, M.L. (2013). "Design, synthesis and characterization of TPA-Thiophene based amide or imine functionalized molecule for potential optoelectronic devices." J.of Theoretical and Applied Physics 7(4).

Schmerr, N. C., Kelly, B. M., Thorne, M.S. (2013). "Broadband array observations of the 300 km seismic discontinuity." Geophys. Res. Lett 40: 1 - 6.

Setny, P. B., R; Kekenes-Huskey, PM; MCCammon, JA, Dzubiella, J (2013). "Solvent Fluctuations in Hydrophobic Cavity-Ligand Binding Kinetics." Proc. Natl. Acad. Sci USA 110: 1197 - 1202.

Si, C., Duan, W., Liu, F. (2013). "First-Principles Calculations on the Effect of Doping and Biaxial Tensile Strain on Electron-Phonon Coupling in Graphene." Phys Rev Lett 111: 196802.

Skorczewski, T., Erickson, L. C., Fogelson, A. (2013). "Platelet motion near a vessel wall or thrombus surface in 2D whole blood simulations." Biophysical Journal 104(8): 174-172.

Smith, Y. R., Sarma, B., Mohanty, S.K., Misra, M. (2013). "Single-Step Anodization for Synthesis of Hierarchical TiO2 Nanotube Arrays on Foil and Wire Substrate for Enhanced Photoelectrochemical Water Splitting." Int. J. Hydrogen Energ 38: 2062 - 2069.

Sponer, J. M., A; Spackova, N; Cang, X; Cheatham, TE; Grimme, S (2013). "Relative stability of different DNA guanine quadruplex stem topologies derived using large-scale quantum-chemical computations." J American Chem Society 135: 9785 - 9796.

Stadbauer, P. K., M; Cheatham, TE; Koca, J; Sponer, J (2013). "Structural dynamics of possible late-stage intermediates in folding quadruplex DNA studied by molecular simulations." Nuc. Acids Res. 41: 7128 - 7143.

Staten, P. W., Reichler, T. (2013). "On the ratio between shifts in the eddy-driven jet and the Hadley cell edge." Clim. Dyn.

Stevens, B., et al. (2013). "The Atmospheric Component of the MPI-M Earth System Model: ECHAM6." J. Adv. Model. Earth Syst. 5(2): 146-172.

Thatcher, L., Pu, Z. (2013). "Evaluation of tropical cyclone genesis precursors with relative operating characteristics (ROC) in high-resolution ensemble forecasts: Hurrican Ernesto." Tropical Cyclone Research and Review 2(3): 131 - 148.

Thibault, J. F., JC; Cheatham, TE (2013). "iBIOMES: Managing and sharing biomolecular simulation data in a distributed environment." J Chem Inf Model 53: 725 - 736.

Thorne, M. S., Crotwell, H.P., Jahnke, G. (2013). "An educational resource for visualizing the global seismic wavefiled." Seismological Research Letters 84(4): 1-7.

Thorne, M. S., Zhang, Y., Ritsema, J. (2013). "Evaluation of 1-D and 3-D seismic models of the Pacific lower mantel with S, SKS, and SKKS travetimes and amplitudes." Journal of Geophysical Research: Solid Earth 118: 1 - 11.

Thorne, M. S., Garnero, E.J., Jahnke, G., Igel, H., McNamara, A.K. (2013). "Mega ultra low velocity zone and mantel flow." Earth and Planetary Science Letters 364: 59 - 67.

Tortorici M, B. T., Tardugno M, Chiarelli L, Pilotto S, Ciossani G, Vellore NA, Bailey S, Cowan J, O’Connell M, Crabb SJ, Packham G, Mai A, Baron R, Ganesan A, Mattevi A. (2013). "Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying LSD1/CoREST Lysine Demethylase." ACS Chem Bio 8: 1677 - 1682.

Vellore NA, B. R. (2013). "Molecular Dynamics Simulations Indicate an Induced-Fit Mechanism for LSD1/CoREST-H3-Histone Molecular Recognition." BMC Biophys 6: 15.

Wang, Z. F., Su, N., Liu, F. (2013). "Prediction of a Two-Dimensional Organic Topological Insulator." Nano Lett. 13: 2842.

Wang, Z. F., Jin, S., Liu, F. (2013). "Spatially separated spin carriers in spin-semiconducting graphene nanoribbons." Phys Rev Lett 111: 096803.

Wei, L., Pu, Z., Wang, S. (2013). "Numerical simulation of the life cycle of a persistent wintertime inversion over Salt Lake City Boundary Layer Meteorology." Boundary Layer Meteorology.

Wen, J., Scoles, D.R., Facelli, J.C. (2013). Structure Prediction of Polyglutamine Disease Proteins: Comparison of Methods. Biotechnology and Bioinformatics Symposium, BIOT 2013.

Yao, Y. (2013). Evaluation of one-dimensional seismic models of the Lunar interior. M.S., University of Utah.

Yeager, K. N., Steenburgh, W.J., Alcott, T.I. (2013). "Contributions of lake-effect periods to the cool-season hydroclimate of the Great Salt Lake Basin." J. Appl. Meteor. Climate 52(2): 341 - 362.

Yin, X., Yan, L., Liu, J., Xu, Z., Miller, J.D. (2013). "Anisotropic Surface Charging of Chlorite Surfaces." Clays and Clay Minerals 61(2): 152 - 164.

Zgarbova, M., Luque, F.J., Sponer, J., Cheatham, T.E., Otyepka, M., Jurecka, P. (2013). "Toward improved description of DNA backbone: Revisiting epsilon and zeta torsion force field parameters." J Chem Theor Comput 9: 2339 - 2354.

Zhang, H., Pu, Z., Zhang, X. (2013). "Examination of errors in near-surface temperature and wind from WRF numerical simulations in regions of complex terrain." Weather Forecasting 28(3): 893 - 914.

Zhang, X., Wang, X., Yin, X., Du, H., Miller, J.D. (2013). Interfacial Chemistry Features of Selected Fluorite Surfaces. SME Annual Meeting. Denver, Colorado.

Zhang, X., Du, H., Wang, X., Miller, J.D. (2013). "Surface Chemistry Considerations in the Flotation of Rare-earth and Other Semisoluble Salt Minerals." Minerals & Metallurgical Processing 30(1): 24-37.

Zhou, M., , Liu, Z., Wang, Z., Bai, Z., Feng, Y., Lagally, M.G., Liu, F. (2013). "Strain-Engineered Surface Transport in Si(001): Complete Isolation of the Surface State via Tensile Strain." Phys Rev Lett 111: 246801.

Zhu, Y. (2013). Characterization of beta phase growth and Experimental Validation of Long Term Thermal Exposure Sensitization of AA5xxx Alloys. MS, University of Utah.

2012 (78) Abu-Zayyad, e. a. (2012). "The surface detector array of the Telescope Array experiment."

Nucl.Instrum.Meth A689: 87-97. Alcott, T. I., Steenburgh, W.J., Laird, N.F. (2012). "Great Salt Lake-effect precipitation: Observed

frequency, characteristics, and environmental factors." Wea. Forecasting 27: 954 - 971. Badu, S., Pimienta, I.S.O., Orendt, A.M., Pugmire, R. J.. Facelli, J.C. (2012). "Modeling of asphaltenes:

Assessment of sensitivity of 13C solid state NMR to molecular structure." Energy & Fuels 26(4): 2161 - 2167.

Baron, R., Vellore NA (2012). "LSD1/CoREST is an allosteric nanoscale clamp regulated by H3-histone-tail molecular recognition." PANS.

Baron, R., McCammon, J.A. (2012). "Molecular Recognition and Ligand Association. ." Ann. Rev. Phys. Chem. 64.

Baron, R., Vellore NA (2012). "Reversible Opening/Closing Dynamics of LSD1/CoREST: Discovery of a Nanoscale Clamp for Chromatin and Protein Binding." Biochemistry 51: 3151-3153.

Baron, R., Setney, P., Paesani, F. (2012). "Water Structure, Dynamics, and Spectral Signatures: Changes Upon Model Cavity-Ligand Recognition." J. Phys Chem B online.

Baron, R. M., V. (2012). "Water-driven Cavity-Ligand Binding with Coarse-Grained Solvent." J. Chem. Theory Comp. 7(under review).

Bedrov, D. (2012). "Molecular dynamics simulation studies of the thermodynamics, structure, and transport properties of alkyl- and alkyne-imidazolium azide ionic liquids." J. Phys Chem 116: 1114 - 1121.

Beveridge, D. L., Cheatham, T.E., Mezei, M. (2012). "The ABCs of molecular dynamics simulations on B-DNA, circa 2012." J. Bioscience 37: 379-397.

Chappanda, K. N., Smith, Y., Mohanty, S.K., Rieth, L.W., Tathireddy, P., Misra, M. (2012). "Growth and characterization of TiO2 nanotubes from sputtered Ti film on Si substrate." Nanoscale Res Lett July 12(7): 388.

Chappanda, K. N., Smith, Y., Misra, M., Mohanty, S.K. (2012). "Site-specific and patterned growth of TiO2 nanotube arrays from e-beam evaporated thin titanium film on Si wafer." Nanotechnology 23: 385601.

Crockett, D. K., Ridge, P.G., Wilson, A.R., Lyon, E., Williams, M.S., Narus, S.P., Facelli, J.C., Mitchell, J.A. (2012). "Consensus: A framework for evaluation of uncertain gene variants in laboratory test reporting." Genome Medicine 4: 48.

Crockett, D. K., Lyon, E., Williams, M.S., Narus, S.P., Facelli, J.C., Mitchell, J.A. (2012). "Utility of gene-specific algorithms for predicting pathogenicity of uncertain gene variants." Journal of the American Medical Informatics Association 19(2): 207 - 211.

Crosman, E., Horel, JD (2012). The impact of the Great Salt Lake on Salt Lake Valley persistent cold air pools. 15th Conference on Mountain Meteorology. Steamboat Springs, CO.

Crosman, E. T., Horel, J.D. (2012). "Idealized Large-Eddy Simulations of Sea and Lake Breezes: Sensitivity to Lake Diameter, Heat Flux, and Stability." Boundary-Layer Meteorology 144(3): 309 - 328.

Cuma, M., Wilson, G.A., Zhdanov, M.S. (2012). "Large-scale 3D inversion of potential field data." 60: 1186 - 1199.

Davis, K., Staes, C., Duncan, J., Igo, S., Facelli, J.C. (2012). "Identification of pneumonia and influenza deaths using the death certificate pipeline." BMC Medical Informatics and Decision Making 12(37).

DeTar, C., Kronfeld, A.S., Lee, S.H., Levkova, L., Mohler, D., Simone, J.N. (2012). "Charmonium mass splittings at the physical point." PoS LATTICE 257.

Dixon, A. M., GD; Bruno, BJ; Constance, JE; Woessner, DW; Fidler, TP; Robertson, JC; Cheatham, TE; Lim, CS (2012). "Improved coiled-coil design enhances interaction with Bcr-Abl and induces apoptosis." Mol. Pharm 9: 187 - 195.

Farber, S., Neutens, T., Miller, H.J., Li, X. (2012). "The Social Interaction Potential of Metropolitan Regions: A Time-Geographic Measurement Approach Using Joint Accessibility." Annals of the Association of American Geographers 103(3): 483 - 504.

Farber, S., Neutens, T., Carrasco, J.A., Rojas, C. (2012). "The Spatial Distribution of Face-to-face Social Interactions." International Association of Travel Behaviour Research.

Galeev, T. R., Romanescu, C., Li, W-L., Wang, L-S., Boldyrev, A.I. (2012). "Observation of the Highest Coordination Number in Planar Species: Decacoordinated Ta©B10- and Nb©B10- Anions " Angew. Chem. Int. Ed. 51: 2101-2105.

Hambrecht, K. (2012). Thesis. MS Thesis, University of Utah. Harper, K. C., Bess, E.N., Sigman, M.S. (2012). "Multidimensional steric parameters in the analysis of

asymmetric catalytic reactions." Nat. Chem. 4: 366 - 374. Henriksen, N. M., Davis, D.R., Cheatham, T.E. (2012). "Molecular dynamics re-refinement of two different

small RNA loop structures using the original NMR data suggest a common structure." J. Biomol. NMR 53: 321-339.

Hooper, J. B. S., O.N.; Borodin, O.; Bedrov, D.; Smith, G.D (2012). "Molecular dynamics simulation studies of the influence of imidazolium structure on the properties of imidazolium/azide ionic liquids." J. Chem. Phys. 136: 194506.

Horel, J. D., Ander, C. (2012). Analysis of multiple stable layers in cold air pools. 15th Conference on Mountain Meteorology. Steamboat Springs, CO

Ivanov, A. S., Boldyrev, A I (2012). "Reliable Predictions of Unusual Molecules " Phys.Chem.Chem.Phys 14: 15943 - 15952.

Kamojjala, K., Swan, M.S., Brannon, R.M. (2012). Validation of Strain-Based Failure Models Using Unnotched Charpy Tests. ASME Verification and Validation Symposium. Las Vegas, NV.

Kim, J. (2012). Investigating Stratospheric Influences on Tropospheric Predictability. Ph. D., University of Utah.

Kim, Y. (2012). High-resolution regional climate simulations over mountainous terrain. MS, University of Utah.

Kochanski, A. K., Jenkins, M.A., Krueger, S.K. (2012). Lessons learned from multiscale atmosphere-fire simulations and their importance for WFDS development and a successful transition of FDS into a wildland fire model. Building and Fire Research Laboratory Seminar Series. Gaithersburg, Maryland, National Institute of Standards and Technology.

Krepl, M., Zgarbova, M., Stadlbauer, P., Otyepka, M., Banas, P., Koca, J., Cheatham, T.E., Jurecka, P.,

Sponer, J. (2012). "Reference simulations of noncanonical nucleic acids with different chi variants of the AMBER force field: Quadruplex DNA, quadruplex RNA, and Z-DNA." J. Chem. Theory Comp. 8: 2506-2520.

Kwan, J. C., Donia, M.S., Han, W.H., Hirose, E., Haygood, M.G., Schmidt, E.W. (2012). "Genome streamlining and chemical defense in a coral reef symbiosis." PNAS.

Lareau, M., Horel, JD (2012). Partial Removal of a Stable Boundary Layers in an Urbanized Mountain Basin. 20th Symposium on Boundary Layers and Turbulence. Boston, MA.

Li, W.-L. R., C.; Galeev, T.R.; Wang, L-S.; Boldyrev, A.I. (2012). "Transition-Metal-Centered Nine-Membered Boron Rings: M©B9 and M©B9. (M = Rh, Ir) " J. Am. Chem. Soc. 134: 165 - 168.

Li, Z., Bedrov, D., Smith, G.D. (2012). "Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study." J. Phys. Chem. B.: submitted.

Lin, Z., Flores, M., Fortez, I., Henriksen, N.M., Concepcion, G.P., Rosenber, G., Haygood, M.G., Olivera, B.M., Light, A.R., Cheatham, T.E., Schmidt, E.W. (2012). "Totopotensamides, polyketide-cyclic peptide hybrids from a Mollusk-associated bacterium Strepomyces sp." J. Natural Prod 75: 644-649.

Liu, C. C., D.; Zipser, E.J. (2012). "Relationships between lightning flash rates and radar reflectivity vertical structures in thunderstorms over the tropics and subtropics." J. Geophys. Res.

Maojo, V., et al. (2012). "Nanoinformatics: developing new computing applications for nanomedicine." Computing 94: 521 - 539.

Oates, R. (2012). Detection algorithms of stratospheric sudden warmings. MA, University of Utah. Olson, J. K., Boldyrev, A.I. (2012). "Electronic transmutation: Boron acquiring and extra electron

becomes 'carbon'." Chem Phys Lett 523: 83 - 86. Osorio, E., Olson, J.K., Tiznado, W., Boldyrev, A.I. (2012). "Analysis of Why Boron Avoids sp2

Hybridization and Classical Structures in the BnHn+2 Series " Chem. Eur. J. 18: 9677-9681. Pare, P., Gribenko, A.V., Cox, L.H., Cuma, M., Wilson, A., Zhdanov, M.S., Legault, J., Smith, J., Polone, L.

(2012). "3D inversion of SPECTREM and ZTEM airborne electromagnetic data from the Pebble Cu-Au-Mo porphyry deposit." Alaska: Exploration Geophysics (Melbourne) 43: 104 - 115.

Peterson, J., Beckvermit, J., Harman, T., Wight, C., Berzins, M. (2012). Multiscale Modeling of High Explosives for Transportation Accidents. XSEDE ’12, New York, NY, ACM.

Pham., B. Q., Truong, T.N. (2012). "Electronic spin transitions in finite-size graphene." Chemical Physics Letters 535: 75 - 79.

Price, R. C., Huth, D., Smith, J., Harper, S., Pace, W., Pulver, G., Kahn, M.G., Schilling, L.M., Facelli, J.C. (2012). "Federated queries for comparative effectiveness research: Performance analysis " Studies in Health Technology and Informatics 175(9 - 18).

Prisbrey, K. (2012). Modeling experiences in materials processing“. 2nd International Workshop on Materials Modeling and Simulations 2012. University of Malakand, Chakdara, Pakistan.

Pu, Z., Zhang, H. (2012). Assimilation of near surface observations over complex terrain: EnKF versus 3DVAR. CMOS Congress 2012 & AMS 25th WAF/21st NWP. Montreal, Quebec, Canada.

Reicher, T., Kim, J., Manzini, E., Kroeger, J. (2012). "A Stratospheric Connection to Atlantic Climate Variability." Nature Geos: 783 - 787.

Romanescue, C., Galeev, T.R., Sergeeva, A. P., Li, W-L., Wang, L-S, Boldyrev, A I. (2012). "Experimental and Computational Evidence of Octa- and Nona-Coordinated Planar Iron-Doped Boron Clusters: Fe©B8- and Fe©B9- " J. Organomet. Chem 721-722: 148-154.

Rutz, J. J., Steenburgh, J.W. (2012). "Quantifying the role of atmospheric rivers in the interior western United States." Atmos. Sci. Lett. 13(4): 257 - 261.

Sarma, B., Smith, Y., Mohanty, S.K., Misra, M. (2012). "Electrochemical Deposition of CdO on Anodized TiO2 Nanotube Arrays for Enhanced Photoelectrochemical Properties." Materials Letters 85(October): 33 - 36.

Setny, P. B., R; McCammon, JA (2012). "Comment on “Molecular-Driving Forces of the Pocket-Ligand Hydrophobic Association” by G. Graziano, Chem. Phys. Lett. 533 (2012) 95." Chem Phys Lett(533): 95.

Shahrokh, K., Cheatham, T.E., Yost, G.S. (2012). "Conformational dynamics of CYP3A4 demonstrate the

important role of Arg212 coupled with the opening of ingress, egress and solvent channels to dehydrogenation of 4-hydroxy-tamoxifen." Biochem. Biophys. Acta. 1820: 1605 - 1617.

Shahrokh, K. O., O.; Yost, G. S.; Cheatham, T.E. (2012). "Quantum Mechanically Derived AMBER-Compatible Heme Parameters for Various States of the Cytochrome P450 Catalytic Cycle." Journal of Computational Chemistry 33: 119 - 133.

Smith, Y. R., Sarma, B., Mohanty, S.K., Misra, M. (2012). "Formation of TiO2-WO3 Nanotubular Composite via Single-Step Anodization and its Application in Photoelectrochemical Hydrogen Generation." Electrochemistry Communications 19(June): 131 - 134.

Smith, Y. R., Sarma, B., Mohanty, S.K., Misra, M. (2012). "Light Assisted Anodized TiO2 Nanotube Arrays." ACS Appl. Mater. Interfaces 4: 5883 - 5890.

Sponer, J., Cang, X., Cheatham, T.E. (2012). "Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures." Methods 57: 25 - 39.

Staten, P. W. (2012). Understanding the causes and mechanisms of atmospheric circulation change. Ph.D., University of Utah.

Steenburgh, W. J., Massey, J.D., Painter, T.H. (2012). "Episodic dust events of Utah's Wasatch Front and adjoining region." J. Appl. Meteor. Climate 51: 1654 - 1669.

Steinmuller, B. M., M.; Hambrecht, K.; Smith, G.D.; Bedrov, D. (2012). "Properties of random block copolymer morphologies: Molecular dynamics and Single-Chain-in-Mean-Field simulations." Macromolecules 45: 1107-1117.

Steinmuller, B. M., M.; Hambrecht, K.; Bedrov, D. (2012). "Random Block Copolymers: Structure, Dynamics, and Mechanical Properties in the BUlk and at Selective Substrates." Macromolecules 45: 9841 - 9853.

Stratton, S. (2012). Measurement of the Flux of Ultra-High Energy Cosmic Rays by the Telescope Array FADC Flourescence Detectors. Ph.S., State University of New Jersey, Rutgers.

Strong, C., Burian, S., Pomeroy, C. (2012). Climate Modeling to Support Urban Water Management in the Wasatch Range. 2012 Spring Runoff Conference, Logan, UT.

Strong, C., Rassmussen, R., Ikeda, K. (2012). Dynamical downscaling of historical and projected winter precipitation along the Wasatch Range for the CI-WATER project. NCAR Orographic Precipitation Workshop. Boulder, CO.

Tokuno, e. a. (2012). "New air fluorescence detectors employed in the Telescope Array experiment." A676: 54-65.

Vatamanu, J., Borodin, O., Smith, G.D. (2012). "Molecular Dynamics Simulation Studies of the Structure of a Mixed Carbonate/LiPF6 Electrolyte near graphite Surface as a Function of Electrode Potential." J. Phys Chem 116: 1114-1121.

Venkatasubramanian, S. (2012). "Fast Multiple Kernel Learning using Multiplicative Weights Update." submitted.

Wall, C. L. Z., E.J.; Liu, C. (2012). "A regional climatology of monsoonal precipitation in the southwestern US using TRMM." J. Hydrometeor 13: 310 - 323.

Werner, E. W. M., T.-S.; Burckle, A. J. ; Sigman, M. S. (2012). "Enantioselective Heck Arylations of Acyclic Alkenyl Alcohols Using a Redox-Relay Strategy." Science 338: 1455.

Whiteman, C. (2012). Meteorological Effects on Wintertime Cold-Air Pools in Utah's Salt Lake Valley. 92nd Annual Meeting of the American Meteorological Society. New Orleans, LA.

Wilson, G. A., Cox, L.H., Cuma, M., Zhdanov, M.S. (2012). "Inverting airborne geophysical data for mega-cell and giga-cell 3D Earth models." The Leading Edge 31: 316 - 321.

Xiong, J., White, H.S. (2012). "The i–V response of an electrochemical cell comprising two polarizable microelectrodes and the influence of impurities on the cell response." J. of Electroanalytical Chem 688: 354 - 359.

Young, J., Whiteman, C. (2012). Observing Characteristics of Wintertime Cold-Air Pools using Laser Ceilometers. 15th Conference on Mountain Meteorology. Steamboat Springs, CO.

Zhang, L., Pu, Z., Lee, C., Zhao, Q. (2012). "The influence of airborne Doppler radar data quality control on numerical simulations of a tropical cyclone." Weather and Forecasting 27: 231 - 239.

Zhu, Y., Kar, S., Free, M.L., Prisbrey, K. (2012). Long-term Corrosion Damage Prediction Modeling of AA5083 Alloys Based on Experiment, Theory, and Molecular Dynamics Simulations. DoD

Corrosion Conference. 2011 (78) Armentrout, P. B. H., A. L.; Ye, S. J. (2011). "Thermodynamics and Mechanisms for Decomposition of

Protonated Glycine and Its Protonated Dimer." J Physical Chem A 115: 11144 - 11155. Bailey, B. (2011). THE IMPACT OF CANOPY GEOMETRY ON PARTICLE DISPERISON GRADIENTS IN

SPARSE AGRICULTURAL CANOPIES. MA Thesis, University of Utah. Bardwell, D. A., et al. (2011). "Towards crystal structure prediction of complex organic compounds - a

report on the fifth blind test." Acta Cryst. B67: 535 - 551. Bikiel, D. E., Ramallo-Lopez, J.S., Requejo, F. G., Ona, O.B., Ferraro, M.B., Facelli, J.C., Doctorovich, F.

(2011). "Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldicholoroiridate (I)." Polyhedron 30: 221 - 227.

Bogenschutz, P. A. (2011). Improving the representation of turbulence and clouds in cloud resolving models and general circulation models. Ph.D., University of Utah.

Burghardt, J. (2011). Nonlocal plasticity, instablility, and wellposedness of the elastic-plastic initial-boundary value problem. Ph.D., University of Utah.

Burghardt, J. A. (2011). Nonlocal plasticity, instablility, and well-posedness of the elastic-plastic initial-boundary value problem. Ph.D., University of Utah.

Cang, X., Sponer, J., Cheatham, T.E. (2011). "Explaining the varied glycosidic conformational, G-tract length and sequence preferences for anti-parallel G-quadruplexes." Nuc. Acids Res. 39: 4499-4512.

Cang, X., spner, J., Cheatham, T.E. (2011). "Insight into G-DNA structural polymorphism and folding from sequence and loop connectivity through free energy analysis." J. Amer. Chem. Soc.

Coon, J. (2011). "HIFU treatment time reduction in superficial tumours through focal zone path selection." International Journal of Hyperthermia 27(5): 465 - 481.

Coon, J. (2011). Treatment Time Reduction through Parameter Optimization in Magnetic Resonance Guided High Intensity Focused Ultrasound Treatments. Ph.D., University of Utah.

Cooper, T. E. A., P. B (2011). "Sequential Bond Energies and Barrier Heights for the Water Loss and Charge Separation Dissociation Pathways of Cd2+(H2O)n, n = 3 – 11." J. Chem. Phys. 134.

Cooper, T. E. C., D. R.; Oomens, J.; Steill, J. D.; Armentrout, P. B. (2011). "Infrared Spectroscopy of Divalent Zinc and Cadmium Crown Ether Systems." J Physical Chem A 115: 5408 - 5422.

Crosman, E. T. (2011). Idealized large-eddy simulation sensitivity studies of sea and lake breezes. Ph.D, University of Utah.

Crowl, L. M. F., A.L. (2011). "Analysis of mechanisms for platelet near-wall excess under arterial blood flow conditions." International Journal for Numerical Methods in Biomedical Engineering 676: 348-375.

DeMille, R., Cheatham, T.E., Molinero, V. (2011). "a course-grained model of DNA with explicit solvation by water and ions." J Physical Chem B 115: 132 - 142.

DeMille, T., Cheatham, T, Molinero, V. (2011). "A Coarse-Grained Model of DNA with Explicit Solvation by Water and Ions." J. Phys. Chem. B. 115(1): 132 - 142.

Dixon, A. S., Pendley, S.S., Bruno, B.J., Woessner, D.W., Shimpi, A.A., Cheatham, T.E., Lim, C.S. (2011). "Disruption of Bcr-Abl coiled coil oligomerization by design." J. Biol Chem 286: 27751-27760.

Ebbert, M. B., RL; Boucher, KM; Martin, M; Carrasco, E; Caballero, R; Stijleman, IJ; Bernard PS; Facelli, JC. (2011). "Characterization of uncertainty in the classification of multivariate assays: application to PAM50 centroid-based genomic predictors for breast cancer treatment plans." Journal of Clinical Bioinformatics 1(37): 1 - 9.

Facelli, J. C. (2011). "Chemical shift tensors: Theory and application to molecular structural problems." Progress in Nuclear Magnetic Resonance Spectroscopy 58: 176 - 201.

Ford, S. G., EJ; Thorne, MS. (2011). "Differential t* measurements via instantaneous frequency matching: observations of lower mantle shear attenuation heterogeneity beneath western Central America." Geophysical Journal International 189: 513 - 523.

Galeev, T. R., Chen, Q.; Guo, J.; Bai, H.; Miao, C.; Lu, H.; Sergeeva, A.P.; Li, S.; Boldyrev, A.I. (2011).

"Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet." Phys. Chem, Chem Phys. 13: 11575 - 11578.

Galeev, T. R., Boldyrev, A.I. (2011). "Planarity takes over in the CxHxP6−x (x = 0-6) series at x = 4." Phys. Chem, Chem Phys.((DOI: 10.1039/C1CP21959F)).

Galeev, T. R., Romanescu, C., Li, W., Wang, L., Boldyrev, A.I. (2011). "Valence isoelectronic substitution in the B8

- and B9- molecular wheels by an AI dopant atom: Umbrella-like structures of AIB7

- and AIB8

-." Journal of Chemical Physics 135: 104301-104301 -104301-104307. Galeev, T. R. I., A.S.; Romanescu, C.; Li. W.; Bozhenko, K.V.; Wang, l.; Boldyrev, A.I. (2011). "Molecular

wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6− and C3B5−." Phys. Chem. Chem. Phys. 13(19): 8805-8810. Gerber, E., Reichler, T. (2011). The Impact of Climate Change on the Spatial and Temporal Structure of

the Annular Modes. WCRP open science conference, Session: Large-scale Climate Variability and Change. Denver, CO.

Gerber, E., Reichler, T. (2011). Stratosphere-Troposphere Coupling: Characterizing intraseasonal variability with the annular modes. WCRP open science conference. Denver, CO.

Harper, K. C., Sigman, M.S. (2011). "Predicting and optimizing asymmetric catalyst performance using the principles of experimental design and steric parameters." Proc Natl Acad Sci U S A. 108(6): 2179.

Harper, K. C., Sigman, M.S. (2011). "Three-Dimensional Correlation of Steric and Electronic Free Energy Relationships Guides Asymmetric Propargylation." Science 333: 1875 - 1878.

Hofstetter, T. E. H., C.; Berden, G.; Oomens, J.; Armentrout, P. B. (2011). "Structural Elucidation of Biological and Toxicological Complexes: Investigation of Monomeric and Dimeric Complexes of Histidine with Multiply Charged Transition Metal (Zn and Cd) Cations using IR Action Spectroscopy." J. Phys Chem B 115: 12648 - 12661.

Huang, M., F. Cavallo, Feng Liu and M. G. Lagally (2011). "Nanomechanical Architecture of Semiconductor Nanomembranes." Nanoscale 3(96).

Huang, S. (2011). Characterization of shallow shear wave velocity structures in southwestern Utah. M.S., University of Utah.

J. Lu, C., G., Reichler, T., Kang, S. (2011). Seasonality in the zonal mean circulation and response to climate change. Workshop on Hierarchical Modeling of Climate. ICTP, Trieste, Italy.

Jenkins, M. A., Kochanski, A., Krueger, S. (2011). The fluid dynamics of steady-state fireline propagation. 9th Symposium on Fire and Forest Meteorology. Palm Springs, CA, American Meteorological Society.

Johansen, D., Jeffries, C. M. J., Hammouda, B., Trewhella, J. & Goldenberg, D. P. (2011). "Effects of macromolecular crowding on an intrinsically disordered protein characterized by small-angle neutron scattering with contrast matching." Biophysical Journal 100: 1120 - 1128.

Kim, J., Austin, J., Gerber, E., Reichler, T. (2011). Stratosphere-Troposphere Coupling: Stability of the annular mode time scale and role of the stratosphere. WCRP open science conference. Denver, CO.

Kochanski, A., . M.A. Jenkins, Krueger, S., Mandel, J., Beezley, J., Clements, C. (2011). Coupled atmosphere-fire simulations of the FireFlux experiment: Impacts of model resolution on its performance. 9th Symposium on Fire and Forest Meteorology. A. M. Society. Palm Springs, CA.

Kochanski, A., Jenkins, M.A., Sun, R., Krueger, S., Abedi, S., Charney, J.J. (2011). "The importance of low-level environmental vertical wind shear to wildfire propagation." International J. Wildland Fire.

Leiderman K.; Fogelson, A. L. (2011). "Grow with the flow: a spatial-temporal model of platelet deposition and blood coagulation under flow." Mathematical Medicine and Biology 28: 47 - 84.

Levkova, L., DeTar, C. (2011). "Charm annihilation effects on the hyperfine splitting in charmonium." Phys. Rev. D. 83: 074504.

Li, W.-L. R., C.; Galeev, T.R.; Wang, L-S.; Boldyrev, A.I. (2011). "Aluminum Avoids the Central Position in AlB9- and AlB10-: Photoelectron Spectroscopy and ab Initio Study " J. Phys Chem A 115: 10391 - 10397.

Liu, C. (2011). "Rainfall contribution from precipitation systems with different sizes, intensities and

durations." J. Hydrometeor 12: 394 - 412. Liu, C., Cecil, D., Zipser, E.J. (2011). "Relationships between lightning flash rates and passive microwave

brightness temperatures at 85 and 37 GHz over the tropics and subtropics." J. Geophys. Res 116: D12206.

Liu, Z. L., C.X.; Wu, Y.S.; Duan, W. H.; Liu, F.; Wu, J. (2011). "Stable Nontrivial Z2 Topology in Ultrathin Bi (111) Films: A First-Principles Study." Phys Rev Lett 107: 136805.

Ma, H., Pazmino, E.F., Johnson, W.P. (2011). "Gravitational settling effects on unit cell predictions of colloidal retention in porous media in the absence of energy barriers." Environmental Science & Technology 45(19): 8306-8312.

Ma, H., Pazmino, E., Johnson, W.P. (2011). "Surface heterogeneity on hemispheres-in-cell model yields all experimentally-observed non-straining colloid retention mechanisms in porous media in the presence of energy barriers." Langmuir 27(24): 14982-14994.

MA, M., Pu, Z., Wang, S., Zhang, Q. (2011). "Characteristics and numerical simulations of extremely large atmospheric boundary-layer heights over an arid region in north-west China." Boundary Layer Meteorology 140: 163 - 176.

Meyers, M., and W. J. Steenburgh (2011). Mountain weather prediction: Phenomenological challenges and forecast methodology. Mountain Weather Research and Forecasting. S. d. W. T. Chow, and B. Snyder.

Niu, X. B. S., G. B.; Liu, F. (2011). "Nonequilibrium Composition Profiles of Alloy Quantum Dots and their Correlation with the Growth Mode." Phys Rev Lett 107: 076101.

Niu, X. B. S., G. B.; Liu, F. (2011). "Phase separation in strained epitaxial InGaN islands." Appl. Phys. Lett 99: 213102.

Olson, J. K., Boldyrev, A.I. (2011). "Ab initio characterization of the flexural B3H8- anion found in the

reversible dehydrogenation." Computational and Theoretical Chemistry 967: 1-4. Olson, J. K., Boldyrev, A.I. (2011). "Ab Initio Search for Global Minimum Structures of Neutral and Anionic

B4H5 Clusters Optical Isomerism in B4H5 and B4H5." Chem. Phys. Lett. ASAP((DOI: 10.1016/j.cplett.2011.10.009)).

Oña, O. B., Ferraro, M.B., Facelli, J.C. (2011). "Transition from exo to endo Cu absorption in CuSin clusters: A genetic algorithms density functional theory (DFT) study." Molecular Simulation(Feb): 1 - 11.

Pennell, C., Reichler, T. (2011). "On the effective number of climate models." J. Climate 24(9): 22358-22367.

Peterson, M. L., C. (2011). "Global statistics of lightning in anvil and stratiform regions over tropics and subtropics observed by TRMM." J. Geophys. Res. 1167: D23201.

Reichler, T., Austin, J., Kim. J. (2011). Stratosphere-Troposphere Coupling: Evidence for Stratospheric Impacts on Ocean Circulation. WCRP open science conference, Session: Large-scale Climate Variability and Change. Denver, CO.

Romanescu, C. G., T.R.; Li, W-L.; Boldyrev, A.I.; Wang, L-S. (2011). "Aromatic Metal-Centered Monocyclic Boron Rings: Co©B8− and Ru©B9−." Chem. Int. Ed. 50: 9334-9337.

Rowley, J. W. O., A.J.; Tolley, N. D.; Hunter, B. N.; Low, E. N.; Nix, D.A.; Yost, C.C.; Zimmerman, G.A.; Weyrich, A.S. (2011). "e-Blood Genome-wide RNA-seq analysis of human and mouse platelet transcriptomes." Blood 118(doi:10.1182/blood-2011-03-339705).

Shahrokh, K., Orendt, A., Yost, G.S., Cheatham, T.E. (2011). "Quantum mechanically derived AMBER-compatible heme parameters for various states of the cytochrome P450 catalytic cycle." J Comp Chem 33(2): 119 - 133.

Smith, C. D., Zimin A, Holt C, Abouheif E, Benton R, Cash E, Croset V, Currie CR, Elhaik E, Elsik CG, Fave MJ, Fernandes V, Gadau J, Gibson JD, Graur D, Grubbs KJ, Hagen DE, Helmkampf M, Holley JA, Hu H, Viniegra AS, Johnson BR, Johnson RM, Khila A, Kim JW, Laird J, Mathis KA, Moeller JA, Muñoz-Torres MC, Murphy MC, Nakamura R, Nigam S, Overson RP, Placek JE, Rajakumar R, Reese JT, Robertson HM, Smith CR, Suarez AV, Suen G, Suhr EL, Tao S, Torres CW, van Wilgenburg E, Viljakainen L, Walden KK, Wild AL, Yandell M, Yorke JA, Tsutsui ND (2011). "Draft genome of the globally widespread and invasive Argentine ant (Linepithema humile)." Proc Natl Acad Sci U S A. 108(14): 5673-5678.

Smith CR, S. C., Robertson HM, Helmkampf M, Zimin A, Yandell M, Holt C, Hu H, Abouheif E, Benton R, Cash E, Croset V, Currie CR, Elhaik E, Elsik CG, Favé MJ, Fernandes V, Gibson JD, Graur D, Gronenberg W, Grubbs KJ, Hagen DE, Viniegra AS, Johnson BR, Johnson RM, Khila A, Kim JW, Mathis KA, Munoz-Torres MC, Murphy MC, Mustard JA, Nakamura R, Niehuis O, Nigam S, Overson RP, Placek JE, Rajakumar R, Reese JT, Suen G, Tao S, Torres CW, Tsutsui ND, Viljakainen L, Wolschin F, Gadau J (2011). "Draft genome of the red harvester ant Pogonomyrmex barbatus." Proc Natl Acad Sci U S A. 108(14): 5667-5672.

Staten, P., Lu, J., Reichler, T. (2011). Structure and mechanisms of tropospheric circulation change in a warming climate. WCRP open science conference, Session: Large-scale Climate Variability and Change.

Steenburgh, W. J., D. M. Schultz, B. Snyder, and M. Meyers, (2011). Bridging the gap between operations and research to improve weather prediction in mountainous regions. Mountain Weather Research and Forecasting. S. d. W. T. Chow, and B. Snyder.

Thomas, K. C., Ethirajan, M., Shahrokh, K., Sun, H., Lee, J., Cheatham, T.E., Yost, G.S., Reilly, C.A. (2011). "Structure activity relationship of capsaicin analogues and TRPV1-mediated human lung epithelial cell toxicity." J. Pharm. Exp. Ther 337: 400-410.

Varble, A. F., A.M.; Zipser, E.J; Ackerman, A.S.; Chaboureau, J.P.; Fan, J; Hill, A.; McFarlane, A.S.; Pinty, J.P.; Shipway, B. (2011). "Evaluation of cloud-resolving model intercomparison simulations using TWP-ICE observations: Precipitation and cloud structure." J. Geophys. Res 116: D12206.

Wang, Z., Y. Zhang, and Feng Liu (2011). "Formation of hydrogenated graphene nanoripples by strain engineering and directed surface self-assembly." Phys Rev. B 83: 041403 (R).

Wang, Z. F. L., F. (2011). "Giant Magnetoresistance in Zigzag Graphene Nanoribbon." Appl. Phys. Lett 99: 213102.

Wei, X., Henriksen, N.M., Skalicky, J.J., Harper, M.K., Cheatham, T.E., Ireland, C.M., VanWagoner, R.M. (2011). "Araiosamines A-D: Tris-bromoindole cyclic quanidine alkaloids from the marine sponge clathria (Thalysias) araiosa." J. Org. Chem,. 76: 5515- 5523.

West, G. L., and W. J. Steenburgh (2011). "Influences of the Sierra Nevada on Intermountain cold-front evolution." Mon. Wea. Rev. 139: 3184 - 3207.

Wu, D. L., M.G.; Liu, F. (2011). "Stabilizing Graphitic Thin Films of Wurtzite Materials by Epitaxial Strain." Phys Rev Lett 107: 236101.

Wu, S., Haiying Zhang, and Cairns, B.R. (2011). "Genes for embryo development are packaged in blocks of multivalent chromatin in zebrafish sperm " Genome Research 21(4): 578 - 589.

Xing, L. B., O.; Smith, G.D., Li. W (2011). "A density functional theory study of the role of anions on the oxidative decomposition reaction of propylene carbonate." J. Phys. Chem. A. 115: 13896 - 13905.

Yandell, M., Huff C, Hu H, Singleton M, Moore B, Xing J, Jorde LB, Reese MG (2011). "A probabilistic disease-gene finder for personal genomes." Genome Research 21(9): 1529-1542.

Zgarbova, M., Otyepka, M., Sponer, J., Mladek, A., Banas, P., Cheatham, T.E., Jurecka, P. (2011). "Refinement of the Cornell et all nucleic acid force field based on reference quantum chemical calculations of torsion profiels of the glycosidic torsion." J. Chem. Theory Comp.

Zhang, L., Pu, Z. (2011). "Four-dimensional Assimilation of Multi-time Wind Profiles Over a Single Station and Numerical Simulation of a Mesoscale Convective System Observed During IHOP_2002." Mon. Wea. Rev. 139: 3369-3388.

Zhdanov, M. S., Cuma, M., Wilson, G., Velikhov, E. P., Black, N., Gribenko, A. (2011). "Iterative electromagnetic migration for 3D inversion of marine controlled-source electromagnetic data." Geophysical Prospecting 59: 1101 - 1113.

Zhdanov, M. S., Wan, L., Gribenko, A., Cuma, M., Key, K., Constable, S. (2011). "Large-scale 3D inversion of marine magnetotelluric data: Case study from the Gemini prospect, Gulf of Mexico." Geophysics 76: 77 - 87.

Zhdanov, M. S., Smith, R. B., Gribenko, A., Cuma, M., Green, M. (2011). "Three-dimensional inversion of large-scale EarthScope magnetotelluric data based on the integral equation method: Geoelectrical imaging of the Yellowstone conductive mantle plume." Geophys. Res. Lett 38: L08307.

2010 (83)

Abbasi, R. U., et al. (2010). "Analysis of large-scale Anisotropy of Ultra-High Energy Cosmic Rays in HiRes

Data." The Astrophysical Journal Letters 713(1): L64 - L68. Alcott, T. I., Steenburgh, W. J. (2010). "Snow-to-liquid ratio variability and prediction at a high elevation

site in Utah's Wasatch Mountains." Wea. Forecasting 25(1): 323 - 337. Baldwin, M., Gillett, N., Forster, P., Gerber, E., Hegglin, M., Karpechko, A., Kim, J., Kushner, P.,

Morgenstern, O., Reichler, T., Son, s., Tourpali, K., (2010). Effects of the stratosphere on the troposphere. SPARC CCMVal (2010): SPARC CCMVal Report on the Evaluation of Chemistry-Climate Models. T. G. S. V. Eyring, D. W. Waugh.

Bhutia, S., Jenkins, M.A., Sun, R. (2010). "Comparison of firebrand propagation prediction by a plume model and a coupled fire/admosphere large eddy simulator." J of Advances in Modeling Earth Systems 2.

Bogenschutz, P. A., Krueger, S. K., Khairoutdinov, M. (2010). "Assumed probability density functions for shallow and deep convection." J. Adv. Model. Earth Syst. 2(Art. #10).

Burghardt, J. A. L., B.; Guilkey, J.E.; Xue, X.; Brannon, R. (2010). Application of Uintah-MPM to shaped charge jet penetration of aluminum. 9th World Congress on Computational Mechanics,, IOP Conf. Series: Materials Science and Engineering.

Ci, L., Son, L., Jin, C., Jariwala, D., Wu, D., Li, Y., Srivastava, A., Wang, Z.F., Storr, K., Balicas, L., Liu, F., Ajayan, P. M. (2010). "Atomic layers of hybridized boron nitride and graphene domains." Nature Materials 9: 430.

Ci, L., L. Song, C. Jin, D. Jariwala, D. Wu, Y. Li, A. Srivastava, Z.F. Wang, K. Storr, L. Balicas, Feng and P. M. A. Liu (2010). "Atomic Layers of Hybridized Boron Nitride and Graphene Domains." Nature Materials 9: 430.

Coon, J. (2010). Dose Delivery Time Reduction Through Optimization of Focal Zone Path, Power, and Size. International Symposium on Therapeutic Ultrasound. Poster. Crosman, E. T., Horel, J.D. (2010). Numerical and observational study of the Great Salt Lake Breeze.

2010 Great Salt Lake Issues Forum. Salt Lake City, UT. Crosman, E. T., Horel, J.D. (2010). The sensitivity of sea and lake breezes to variations in surface and

atmospheric state in large-eddy simulations. 14th conference on Mountain Meteorology. Olympic Village, CA.

Crowl, L., Fogelson, A. (2010). "Computational model of whole blood exhibiting lateral platelet motion induced by red blood cells." Int j numer method biomed eng 26(3-4): 471 - 487.

Cuma, M., Wilson, G.A., Zhdanov, M.S., Velikhov, E.P., Black, N., and Gribenko, A.V. (2010). Multiple inversion scenarios for enhanced interpretation of CSEM data using iterative migration: A case study for the Shtokman gas field, Barents Sea. SEG Exhibition and 80th Annual Meeting, Denver, CO.

De la Llave, E., Molinero, V., Scherlis, A. (2010). "Water filling of a hydrophilic nanopore." J Chem Physics 133: 034513.

Du, J., Fogelson, A. (2010). "A Cartesian Grid Method for Two-Phase Gel Dynamics on Irregular Domains." International Journal for Numerical Methods in Fluids 67(12).

Espejo, V. R., Le, X., Rainier, J.D. (2010). "Cyclopropylazetoindolines as Precursors to C(3)-Quaternary-Substituted Indolinens." J American Chem Society 132(24): 8282 - 8284.

Espinal, J. F., Mondragon, F., Truong, T. N. (2010). "Thermodynamic evaluation of steam gasification mechanisms of carbonaceous materials." Carbon 47(13): 3010 - 3018.

Freedman, H., Huynh, L. P., Le, L., Cheatam III, T.E., Tuszynski, J., Truong, T. N. (2010). "Explicitly-Solvated Ligand contribution to Continuum solvation models for Binding Free Energies: Selectivity of Theophylline Binding to an RNA Aptamer." Journal of Physical Chemistry B 114(6): 2227 - 2237.

Garcia-Hernandez, A., Facelli, J.C., Colom, L.C. (2010). "Understanding synchronization and hyper-synchronization in the septo-hippocampal system." Neuroscience 11 (Suppl 1): 124.

Gregg, K. L., Fogelson, A. (2010). "Grow with the flow: A spatial-temporal model of platelet deposition and blood coagulation under flow." Math Med Biology.

Gribenko, A. V., Green, A.M., Cuma, M., and Zhdanov, M.S. (2010). Efficient 3D inversion of MT data

using integral equations and the receiver footprint approach application to the large-scale inversion of EarthScope data. SEG Exhibition and 80th Annual Meeting. Denver, CO.

Halling, M. D., Orendt, A. M., Strohmeier, M., Solum, M.S., Tsefrikas, V. M., Hirao, T., Scott, L.T., Pugmire, R. J., Grant, D. M. (2010). "Solid-state 13C NMR investigations of 4,7-dihydro-1H-tricyclopenta-[def,jkl, pqr]triphenylene (sumanene) and indeno [1,2,3-cd]fluoranthene: Buckminsterfullerene moieties." Phys. Chem. Chem. Phys. 12: 7934 - 7941.

J. Lu, C., G., Frierson, D., Reichler, T. (2010). Differentiate the causes for the widening of the Hadley circulation through the regime change and seasonal cycle of mean circulation. American Geophysical Union Fall Meeting. San Francisco, CA.

Jacobson, L., Molinero, V. (2010). "A Methane-water Model for Coarse-Grained Simulations of Solutions and Clathrate Hydrates." J. Phys. Chem. B 114: 7302-7311.

Jacobson, L. C., Hujo, W., Molinero, V. (2010). "Amorphous Precursor in the Nucleation of Clathrate Hydrates." JACS 132: 11806 - 11811.

Jacobson, L. C., Huyo, W., Molinero, V. (2010). "Nucleation Pathways of Clathrate Hydrates: Effect of Guest Size and Hydrophilicity." J. Phys. Chem. B. 114: 13796 - 13807.

Jeglum, M. E., W. J. Steenburgh, T. P. Lee, and L. F. Bosart (2010). "Multi-reanalysis climatology of Intermountain cyclones." Mon. Wea. Rev. 138: 4035 - 4053.

Jenkins, M. a., Kochanski, A., Krueger, S., McDermott, R., and Mell, W. (2010). The fluid dynamical forces involved in grass fire propagation. American Geophysical Union Fall Meeting. San Francisco, CA.

Jenkins, M. A., Kochanski, A., Krueger, S. (2010). The importance of wind in the fire environment. Wildland Fire Workshop, 24th Annual Advance Combustion Engineering Research Center. Provo, UT.

Johnston, J. C., Kastelowitz, N., Molinero, V. (2010). "Liquid to quasicrystal transition in bilayer water." J. Chem. Phys. 133: 154516.

Kastelowitz, N., Johnston, J.C., Molinero, V. (2010). "The Anomalously High Melting Temperature of Bilayer Ice." J. Phys. Chem. B 114: 7320 - 7328.

Kochanski, A., Jenkins, M.A., Krueger, S., McGermott, R., Mell, W. (2010). Evaluation of the fire plume dynamics simulated by WRF-fire. American Geophysical Union Fall Meeting. San Francisco, CA.

Kochanski, A., . M.A. Jenkins, S. Krueger, R. McDermott, and W. Mell (2010). Forecasting for Fire modeling. Salt Lake City, UT, Atmospheric Sciences Department, University of Utah.

Kochanski, A., Jenkins, M.A., Krueger, S., McGermott, R., Mell, W. (2010). Wind Forecasting for Fire Modeling. Gaithersburg, MD, Building and Fire Research Laboratory, Nat'l Institute of Standards and Technology.

Kochanski, A., Jenkins, M.A., Krueger, S. (2010). Wind Forecasting in the Fire Environment. Wildland fire Workshop, 24th Annual Advance Combustion Engineering Research Center. Provo, UT.

Lavery, R., Zakrezewska, K., Beveridge, D. L., Bishop, T.C., Case, D.A., Cheatham, T.E., Dixit, S., Jayaram, B., Lankas, F., Laughton, C., Maddocks, J. H., Michon, A., Osman, R., Orozco, M., Perez, A., Singh, T., Spackova, N., Sponer, J. (2010). "A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA." Nuc. Acids Res. 38: 299 - 313.

Le, L., Molinero, V. (2010). "Nanophase segregation in supercooled aqueous solutions and their glasses driven by the polyamorphism of water." J. Phys. Chem. A.

Levesque, C. A., et al. (2010). "Genome sequence of the necrotrophic plant pathogen Pythium ultimum reveals original pathogenicity mechanisms and effector repertoire." Genome biology 11: R73.

Liu, C. W., E.; Zipser, E.J.; Burns, G. (2010). "Diurnal variations of global thunderstorms and electrified shower clouds and their contribution to the global electrical circuit." J. Atmos. Sci. 67: 309 - 323.

Liu, Z., J. Wu, W. Duan, M.G. Lagally and Feng Liu (2010). "Electron Phase Diagram of Single-Element Silicon "Strain" Superlattice." Phys Rev Lett 105: 016802.

Lupton, E. M., Chen, L., Liu, F. (2010). "Uniaxial Strain in Molecular Nanowires: A Case Study of B-phase Polyfluorenes." Chem. Phys. Lett. 1: 1326.

Ma, J., Johnson, W. P. (2010). "Colloid Retention in Porous Media of Various Porosites: Predictions by the Hemispheres-in-Cell Model." Langmuir 26(3): 1680 - 1687.

Manzini, E., Matthes, K., Blume, c., Bodeker, G., Cagnazzo, C., Calvo, N., Charlton-Perrex, A., Douglass, A., Fogli, P., Gray, L., Kim J., Kodera, K., Kunze, M., Ortiz, C., Randel, B., Reichler, T., Stenchikov, G., Timmreck, C., Toohey, M., Yoden, S. (2010). Natural Variability of Stratospheric Ozone, Chapter 8. SPARC CCMVal (2010): SPARC CCMVal Report on the Evaluation of Chemistry-Climate Models T. G. S. V. Eyring, D.W. Waugh.

Martin, G. M., Senior, S F, Ineson, S., James, P., Milton, S.F., Brooks, M.E., Reichler, T., Kim, J. (2010). "Analysis and reduction of systematic errors through a seamless approach to modelling weather and climate." J. Climate 23: 5933 - 5957.

Masiker, M. C., Mayne, M.C., Boone, B. J., Orendt A., Eyring, E.M. (2010). "7Li NMR chemical shift titration and theoretical DFT calculation studies: solvent and anion effects on second-order complexation of 12-crown-4 and 1-aza-12-crown-4 with Lithium cation in several aprotic solvents." Magnetic Resonance in Chemistry 48: 94 - 100.

Moore, E. B., de la Llave, E., Welke, K., Scherlis, D.A., Molinero, V. (2010). "Freezing, Melting and Structure of Ice in a Hydrophobic Nanopore." Phys. Chem, Phys. 12: 4124 - 4134.

Moore, E. B., Molinero, V. (2010). "Ice crystallizatioin in water's "no-man's land." J. Chem. Phys. 132: 244504.

Oler, A., Alla RK, Roberts DN, Wong A, Hollenhorst PC, Chandler KJ, Cassiday PA, and H. C. Nelson CA, Graves BJ, Cairns B.R (2010). "Human RNA polymerase III transcriptomes and relationships to Pol II promoter chromatin and enhancer-binding

factors." Nat Struct Mol Biol 17(5): 620 - 628. Olson, J. (2010). AB INITIO SEARCH FOR NOVEL BXHY BUILDING BLOCKS WITH POTENTIAL FOR

HYDROGEN STORAGE. Ph.D. Dissertation, Utah State University. Oppermann, C., Crosman, E., Horel, J.D. (2010). Observational study of the Great Salt Lake Breeze.

Annual Meeting of the American Meteorological Society. Atlanta, GA. Patterson, O., Igo, S., Hurdle, J.F. (2010). Automatic Acquisition of Sublanguage Semantic Schema:

Towards the Word Sense Disambiguation of Clinical Narratives. AMIA 2010. Paulsen, R. B., Seth, P.P., Swayze, E.E., Griffey, R.H., Skalicky, J.J., Cheatham, T.E., Davis, D.R., (2010).

"Inhibitor induced structure change in the HCV IRES domain IIa RNA." Proc. Natl. Acad. Sci. 107(16): 7263 - 7268.

Pennell, C., Reichler, T. (2010). "On the effective number of climate models." J. Climate e-View. Price, R. C., Pettey, W., Freeman, T., Keahey, K., Leecaster, Samore, M., Tobias, J., Facelli, J.C. (2010).

"SaTScan on a Cloud: On-Demand Large Scale Spatial Analysis of Epidemics." Online Journal of Public Health Informatics 2(1): 1-11.

Pu, S., Zhang, L., Emmitt, G.D. (2010). "Impact of airborne Doppler wind lidar data on numerical simulation of a tropical cyclone." Geophys. Res. Lett. 37: L05801.

Rai, K., Sharmistha Sarkar, Talmage J. Broadbent, Matthew Voas, Kenneth F., L. D. N. Grossmann, Somaye Dehghanizadeh, Fanuel T. Hagos, Yumei Li,, et al. (2010). "DNA Demethylase Activity Maintains

Intestinal Cells in an Undifferentiated State Following Loss of APC. Cell." Cell 142(6): 930-942. Ratkiewicz, A., Bieniewska, J., Truong, T. N. (2010). "Kinetics of the Hydrogen Abstraction R-OH + H -->

R-O* + H2 Reaction class." International Journal of Chemical Kinetics 43(2): 78 - 98. Rost, S., Garnero, E.J, Thorne, M.S., Hutko, A.R (2010). "On the absence of an ultralow-velocity zone in

the North Pacific." Journal of Geophysical Research 115: B04312. Rutz, J., Reichler, T., Lu, J. (2010). Atmospheric circulation trends in millenium-length climate

simulations. AMS 22nd Conf. on Climate Variability and Change. Atlanta, GA. Rutz, J. (2010). Past shifts in the general circulation: Causation, structure, and effects on hydroclimate.

MS, University of Utah. Sharma, N., Pan J.-j., and Poulter C.D (2010). "Type II Isopentenyl diphosphate isomerase: probing the

mechanism with alkyne/allene diphosphate substrate analogues." Biochemistry 49: 6228 - 6233. Shingleton, N. (2010). COUPLING A LAND-SURFACE MODEL TO LARGE-EDDY SIMULATION TO STUDY

THE NOCTURNAL BOUNDARY LAYER. MA Thesis, University of Utah. Smith, C. R., et al. (2010) "Draft genome of the globally widespread and invasive Argentine ant

(Linepithema humile)." PNAS. Smith, C. R., et al. (2010) "Draft genome of the red harvester ant (Pogonomyrmex barbatus)." PNAS. Staten, P., Reichler, T., Rutz, J.J., Kim, J. (2010). "How Ozone Depletion Causes Southern Hemispheric

Climate Change." Eos Trans. AGU 91(26): Jt. Assem. Suppl., Abstract A42A-03. Staten, P. W., Reichler, T., Lu, J. (2010). Understanding the direct and indirect circulation response to

radiative forcings. American Geophysical Union Fall Meeting. San Francisco, CA. Truong, T., Freedman, H., Le, L., Cheatham, T.E., Tuszynski, J., Huynh, L. (2010). "Explicitly-solvated

ligand contribution to continuum solvation models for binding free energies: selectivity of theophylline binding to an RNA aptamer." J. Phys Chem B 114: 2227 - 2237.

Wang, Z., Feng Liu (2010). "Manipulation of Electron Beam Propagation by Hetero-Dimensional Graphene Junctions." ACS Nano 4: 2459.

Welker, M. C., Pavelec, D.M., Nix, D.A., Duchaine, T. F., Kennedy, S., Bass, B.L. (2010). "Dicer's Helicase Domain is Required for Accumulation of Some, but not all, C. Elegans Endogenous siRNAs." RNA 16(5): 893 - 903.

Werner, E. W., Sigman, M.S. (2010). "A Highly Selective and General Palladium Catalyst for the Oxidative Heck Reaction of Electronically Nonbiased Olefins." J. Am. Chem. Soc. 132(40): 13981 - 13983.

West, G. L., Steenburgh., W.J. (2010). "Life cycle and mesoscale frontal structure of an Intermountain cyclone." Monthly Weather Review 138(7): 2528 - 2545.

Wilson, G. A., Cuma, M., Zhdanov, M.S., Gribenko, A., and Black, N. (2010). A quantitative comparison of the effects of stabilizing functionals in 3D regularized inversion of marine CSEM data. AGU Fall Meeting, San Francisco, CA.

Xu, L., Molinero, V. (2010). "Liquid-vapor Oscillations of Water Nanoconfined Between Hydrophobic Disks: Thermodynamics and Kinetics." J. Phys. Chem. B 114: 7320 - 7328.

Xu, W. Z., E.J.; Liu, L.; Jiang, J. (2010). "On the relationships between lightning frequency and thundercloud parameters of regional precipitation systems." J. Geophys. Res 115: D12203.

Zhdanov, M. S., Cuma, M., Ueda, T. (2010). 3D Electromagnetic Holographic Imaging in Active Monitoring of Sea-Bottom Geoelectric Structures. Active Geophysical Monitoring. J. Kasahara, Korneev, V., Zhdanov, M.S., Elsevier: 317-342.

Zhdanov, M. S., Cuma, M., Gribenko, A., Wilson, G. and Black, N. (2010). 3D inversion of marine CSEM data: A feasibility study for the Shtokman gas field in the Barents Sea. International Workshop on Electrical, Gravity and Magnetic Methods. Capri, Italy.

Zhdanov, M. S., Cuma, M., and Wilson, G. (2010). 3D iterative migration of marine controlled-source electromagnetic data with focusing regularization. 72nd EAGE Conference and Exhibition. Barcelona, Spain.

Zhdanov, M. S., Velikhov, E. P., Cuma, M., Wilson, G., Black, N., and Gribenko, A. (2010). "Exploring multiple 3D inversion scenarios for enhanced interpretation of marine CSEM data in an iterative migration analysis of the Shtokman gas field in the Barents Sea." First Break 28(3): 95 - 101.

Zhdanov, M. S., Cuma, M., Wilson, G. A., Black, N., and Gribenko, A. (2010). Exploring multiple 3D inversion scenarios for enhanced interpretation of marine electromagnetic data. Brazilian Geophysical Society Non-Seismic Geophysics Forum. Rio de Janeiro, Brazil.

Zhdanov, M. S., Cuma, M., and Wilson, G. (2010). Large-scale 3D iterative migration of marine controlled-source electromagnetic data with focusing regularization Progress in Electromagnetic Research Symposium. Boston, MA.

Zhdanov, M. S., Green, A. M., Gribenko, A. V., Cuma, M. and Wilson, G. A (2010). Large-scale three-dimensional inversion of EarthScope MT data from the northwestern United States. International Workshop on Electromagnetic Sounding in memory of Mark Berdichevsky and Peter Weidelt. Moscow, Russia.

Zhu, J., Feng Liu, and G. B. Stringfellow (2010). "Enhanced cation-substituted p-type doping in GaP from dual surfactant effects." Crys. Growth 312: 174.

Zhu, J., Feng Liu, G. B. Stringfellow, and S.-H. Wei (2010). "Strain-Enhanced Doping in Semiconductors: Effects of Dopant Size and Charge State." Phys Rev Lett 105: 195503.

2009 (74)

Abbasi, R. U., et al. (2009). "Measurement of the flux of ultra high energy cosmic rays by the stereo

technique." Astroparticle Physics 32: 53 - 60. Abbasi, R. U., et al. (2009). "A Search for Three and Four Point Correlation in HiRes Stereo Data."

online(arXiv:0901.3740v2). Bankiewicz, B. H., L. K.; Ratkiewicz, A.; Truong, T. N. (2009). "Kinetics of 1,4 Hydrogen Migration in Alkyl

Radical Reaction Class." J Physical Chem A 113: 1564-1573. Belz, J. (2009). "Overview of Recent HiRes Results." Nuclear Physics B 190: 5 - 11. Coon, J., Christensen, D., Vyas, U., Roemer, R., Payne, A. (2009). Dose Delivery Time Reduction through

Focal Zone (FZ) Size and Path Optimization in HIFU. Society of Thermal Medicine, Tucson, AZ. Coon, J. (2009). HIFU Dose Delivery Time Reduction: Focal Zone Size and Path Optimization. Society for

Thermal Medicine Annual Meeting. Tucson, AZ. Crosman, E. T., Horel, J.D. (2009). Idealized large-eddy simulations of sea and lake breezes. 13th

Congerence on Mesoscale Processes. Salt Lake City, UT. Crosman, E. T., Horel, J.D. (2009). Observational and numerical study of the Great Salt Lake. 10th

Annual WRF User's Workshop. Boulder, CO. Day, G., Cooper, T.G., Cruz Cabeza AJ, Hejczyk KE, Ammon HL, Boerrigter SXM, Tan J, Della Valle RG,

Venuti E, Jose J, Gadre SR, Desiraju GR, Thakur TS, van Eijck BP, Facelli JC, Bazterra VE, Ferraro MB, Hofmann DWM, Neumann M, Leusen FJJ, Kendrick J, Price SL, Misquitta AJ, Karamertzanis PG, Welch GWA, Scheraga HA, Arnautova YA, Schmidt MU, van de Streek J, Wolf A, Schweizer B (2009). "Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test." Acta Crystallogr. B B65: 107 - 125.

Demille, R., Molinero, V. (2009). "Coarse-grained Ions Without Charges: Reproducing the Solvation Structure of NaCl in water using Short-Ranged Potentials." J. Chem. Phys. 131(3): 034107.

Du, J., Wright, G., Fogelson, A. (2009). "A Parallel Computational Method for Simulating Two-Phase Gel Dynamics." International Journal for Numerical Methods in Fluids 60: 633-649.

Endo, M., Cuma, M., and Zhdanov, M. S. (2009). "Large-Scale Electromagnetic Modeling for Multiple Inhomogeneous Domains." Commun. Comput. Phys 6: 269 - 289.

Endo, M., Cuma, M., and Zhdanov, M. S. (2009). Three-dimensional electromagnetic modeling in complex geoelectric structures with multiple inhomogeneous domains. EOS, AGU Fall Meeting Supplement. 90: abstract NG23A-1078.

Endo, M. C., M.; Zhdanov, M.S. (2009). Multiple domain integral equation method for 3D electromagnetic modeling in complex geoelectric structures. SEG International Exposition and 79th Annual Meeting, Houston, TX.

Facelli, J. C., Orendt, A.M. (2009). Chapter 8: Chemical Shifts: Basics & Solid-state Molecular-level Structure. NMR Crystallography. R. K. Harris, Wiley.

Facelli JC, O. A. (2009). Chapter 5: Magnetic Shielding & Chemical Shifts: Basics. NMR Crystallography. R. K. Harris, Wiley.

Fadrna, E., Spackova, N., Sarzynska, J., Koca, J., Orozco, M., Cheatham, T.E., Kulinski, T., Sponer, J. (2009). "Single stranded loops of quadruplex DNA as key benchmark for testing nucleic acids force field." J. Chem. Theory Comp. 5: 2514 - 2530.

Hammoud, S., Nix, D., Haiving Z., Purwar J., Carrell D., Cairns B.R. (2009). "Distinctive Human Sperm Chromatin Packages Genes Guiding Embryo Development." Nature Epub(Jun 14): PMID: 19525931.

Hammoud, S. S., Nix, D.A., Zhang, H., Purwar, J., Carrell, D.T., Cairns, B.R. (2009). "Distinctive Chromatin in Human Sperm Packages Genes for Embryo Development." Nature 460: 473 - 478.

Han, T. S., Zhang, M. M., Walewska, A., Gruszczynski, P., Robertson, C.R., Cheatham, T.E., Yoshikami, D., Olivera, B. M., Bulaj, G. (2009). "Structurally-minimized ?conotoxin analogs as sodium channel blockers: Implications for designing conopeptide-based therapeutics." Chem. Med. Chem. 4: 406 - 414.

Hollenhorst, P. C., Chandler, K. J., Poulsen, R.L., Johnson, W.E., Speck, N.A., Graves, B.J. (2009). "DNA Specificity Determinants Associate With Distinct Transcription Factor Functions." PLoS Genet 5(12): e1000778.

Hooper, J. B., Bedrov, D., Smith, G. D., Borodin, O., Dattelbaum, D. M., Kober, E. (2009). "A Molecular Dynamics Simulation Study of the Pressure-Volume-Temperature Behavior of Polymers Under High Pressure." J. Chem. Phys. 130: 144904.

Huang, e. a. (2009). "Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First Principles Study." Physical Review Letters 102: 166404.

Huynh, L. K., Tirtowidjojo, M., Truong, T. N. (2009). "Theoretical study on kinetics of the H2CO + O2 --> HCO + HO2 reaction." Chemical Physics Letters 469: 81 - 84.

Jacobson, L. C., Hujo, W., Molinero, V. (2009). "Thermodynamic Stability and Growth of Guest-Free Clathrate Hydrates, A Low-Density Crystal Phase of Water." J Physical Chem B 113: 10298 - 10307.

Jenkins, M. A., Bhutia, S., Sun, R. (2009). Impacts of Fire/Atmosphere Coupling and Boundary-Layer Turbulence on Firebrand Propagation. 8th Symposium on Fire and Forest Meteorology. Kalispell.

Jenkins, M. A., S. Bhutia, and R. Sun (2009). Impacts of Fire/Atmosphere Coupling and Boundary--Layer Turbulence on Firebrand Propagation. 8th Symposium on Fire and Forest Meteorology, American Meteorological Society, Kalispell, Montana.

Johnston, J. C., Iuliucci, R.J., Facelli, J.C., Fitzgerald, G., Mueller, K.T. (2009). "Intermolecular shielding contributions studies by modeling the 13C chemical-shift tnesors of organic single crystals with plane waves." Journal of Chemical Physics 131: 144503.

Joung, I. S., Etinkol, P., Hud, N.V., Cheatham, T.E. (2009). "Molecular dynamics simulations and coupled nucleotide substitution experiments indicate the nature of AoA base pairing and a putative structure of the coralyne-induced homo-adenine duplex." Nuc. Acids Res. 37: 7715 - 7727.

Joung, I. S., Cheatham, T. E. (2009). "Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model specific ion parameters." J. Phys. Chem B 113: 13279 - 13290.

Kang, J., Gemberlling, M., Nakamura, M., Whitby, F.G., Handa, H., Fairbrother, W.G., Tantin, D. (2009). "A General Mechanism for Transcription Regulation by Oct1 anmd Oct4 in Response to Genotoxic and Oxidative Stress." Genes Dev. 23(2): 208 - 222.

Kim, S., Orendt, A.M., Ferraro, M. B., Facelli, J. C. (2009). "Crystal Structure Prediction of Flexible Molecules Using Parallel Genetic Algorithms with a Standard Force Field." Journal of Computational Chemistry 30 1973 - 1985.

Kochanski, A., Jenkins, M.A., Krueger, S., McGermott, R., Mell, W. (2009). Capabilities of current wildfire models when simulating topographical flow. American Geophysical Union Fall Meeting. San Francisco, CA.

Kochanski, A., . M.A. Jenkins, and S. Krueger (2009). Fire Spread and Hill Flow. Wildland-Urban Interface (WUI) Fires Workshop, Building and Fire Research Laboratory Annual Fire Conference, NIST, Gaithersburg, MD.

Kochanski, A., Jenkins, M.S., Krueger, S. (2009). Fire spread and Hill Flow. Wildland-Urban Interface (WUI) Fires Workshop. Gathersburg, MD, NIST.

Kochanski, A., Jenkins, M.a., and Krueger, S.K. (2009). Flow over a simple hill and its impact on wind speed, variability and turbulence. 8th Symposium on fire and Forest Meteorology. Kalispell, MT.

Kochanski, A., M.A. Jenkins, and S.K. Krueger (2009). Flow over a simple hill and its impact on wind speed, variability, and turbulence. 8th Symposium on Fire and Forest Meteorology, American Meteorological Society, Kalispell, Montana.

Krueger, S. L., Kochanski, A.K. (2009). What can Cloud-Resolving Models Tell us About Critical Phenomena in Atmospheric Precipitation? 2009 Joint Assembly, Toronto, Canada.

Le, L., Lee, E., Schulten, K., Truong, T. N., (2009). "Molecular modeling of seine influenza A/H1N1, Spanish H1N1, and avian H5N1 flu N1 meuraminidases bound to Tamiflu and Relenza." Public Library of Science (PLoS) Currents Influenza August 27, 2009.

Li, X., Pu, Z. (2009). "Sensitivity of numerical simulations of the early rapid intensification of Hurricane Emily (2005) to cumulus parameterization schemes in different model grid resolutions." J. Meteorol. Soc. Japan 87: 403 - 421.

Li, Y. Y., Liu, M., Ma, D.Y., Yu, D.C., Chen, X., Ma, X.C., Xue, Q.K., Xu, K.W., Jia, J.F., Liu, F. (2009). "Bistability of Nanoscale Ag Islands on Si(111)-4 x 0) - In surface Induced by Anisotropic Stress."

Phys. Rev. Lett. 103: 076102. Liu, C. Z., E.J. (2009). "Implication of the day vs. night differences of water vapor, carbon monoxide and

thin cloud observations near tropical tropopause." J. Geophys. Res 114: S09303. Liu, C. Z., E.J. (2009). ""Warm rain" in the tropics: Seasonal and regional distribution based on 9 years of

TRMM data." J. Climate 22: 767 - 779. Lu, J., C. Deser, and T. Reichler (2009). "Cause of the widening of the tropical belt since 1958." Geophys.

Res. Lett 36: L03803, doi:03810.01029/02008GL036076. Ma, J., Pedel, J., Fife, P., Johnson, W. (2009). "Hemispheres-in-Cell Geometry to Predict Colloid

Deposition in Porous Media." Environ. Sci, Technol 43: 8573-8579. Maran, U., Britt, D., Fox, C. B., Harris, J. M., Orendt, A., Conley, H., Davis, R., Hlady, V., Stang, P. J.

(2009). "Self-Assembly of a Triangle-Shaped, Hexaplatinum-Incorporated, Supramolecular Amphiphile in Solution and at Interfaces." Chem. Eur. J. 15: 8566 - 8577.

McDermott, R. (2009). A Workshop to Build Three Simple Tensegrity Models for K-12 Mathematics Classrooms. Bridges 2009: Mathemmatics, Music, Art, Architecture Culture, Banff, Alberta, Canada.

Molinero, V., Moore, E. B. (2009). "Water Modeled as an Intermediate Element between Carbon and Silicon." J Physical Chem B 113: 4008.

Moore, E. B., Molinero, V. (2009). "Growing correlation length in supercooled water." J Chem Physics 130(24): 10298-10307.

Muszynska, M., Ratkiewicz, A., Huynh, L. K., Truong, T. N. (2009). "Kinetics of the Hydrogen Abstraction C2H3 + alkane --> C2H4 + alkyl radical Reaction Class." Journal of Physical Chemistry 113(29): 8327 - 8336.

Nguyen, H. G., Konya, G., Eyring, e., Hunter, D., Truong, T. N. (2009). "Theoretical Study on the Interaction between Zenon and Positively Charged Silver Clusters in Gas Phase and on the (001) Chabazite Surface." Journal of Physical Chemistry 113(29): 12818 - 12825.

Novoa, J. J., Stephens, P. W., Weerasekare, M., Shum, W. W., Miller, J.S. (2009). "The Tetracyanopyrazinide Dimer Dianion [TCNP]2

2- 2 Electron 8 Center (2e-/8c) Bonding." J. Am. Chem. Soc. 131: 9070.

Orendt, A. M., Facelli, J. C. (2009). Chemical Shifts & Solid-state Molecular-level Structure. NMR Cystallography, John Wiley & Sons, Ltd.: 99 - 111.

Orrego, J., Zapata, F., Truong, T. N., Mondragon, F. (2009). "Heterogeneous CO2 Evolution from Oxidation of Aromatic Carbon-based Materials." Journal of Physical Chemistry A 113(29): 8415 - 8420.

Pendley, S. S., Yu, Y.B., Cheatham, III, T. E. (2009). "Molecular Dynamics Guided Study of Salt Bridge Length Dependence in Both Fluorinated and Non-Fluorinated Parallel Dimeric Coiled-Coil Proteins." Proteins 74: 612 - 629.

Pennell, C., Reichler, T. (2009). On the effective number of climate models American Geophysical Union Fall Meeting. San Francisco, CA.

Pu, Z., Li, X., Zipser, E. (2009). "Diagnosis of the initial and forecast errors in the numerical simulation of the rapid insstensification of Hurrican Emily (2005)." Wea. Forecasting 24: 1236 - 1251.

Pu, Z., Li, X., Sun, J. (2009). "Impact of airborne Doppler radar data assimilation on the numerical simulation oof intensity changes of Hurricane Dennis near a landfall." J. Atmos. Sci. 66: 3351 - 3365.

Reichler, T., J. Kim, and C. Pennell (2009). How well do coupled models simulate present-day climate? Climate research division seminar, Environmental Canada, Toronto, Canada.

Reichler, T., J. Kim (2009). Validation of tropospheric and stratospheric climate. SPARC Report on Evaluation of Chemistry Climate Models. V. Eyring, T. Shepherd, D. Waugh, editors., CCMVal.

Reichler, T., and J. Kim (2009). Validation of tropospheric and stratospheric climate. CCMVal 2009 Workshop, Univ. of Toronto,Toronto, Canada.

Shum, W. W., Epstein, A. J., Miller, J.S. (2009). "Spin polarized electronic structure for the layered two-dimensional [FeII (TCNE)(NCMe)2[FeIIICl4] Organic-based Magnet." Phys. Rev B 80: 064403.

Sokolsky, P. (2009). "Observation of the GZK cutoff by the HiRes Experiment." Nuclear Physics B 196: 67 - 73.

Staes, C. Z., W.; LeFevre, S.; Price, R.; Narus, S.P.; Gundlapalli, A.; Rolfs, R.; Nangle, B.; Samore, M.; Facelli, J. C. (2009). "A case for using grid architecture for state public health informatics: the Utah perspective." BMC Medical Informatics and Decision Making 2009 9(32).

Steenburgh, W. J., Neuman, C.R., West, G.L., Bosart, L.F. (2009). "Discrete frontal propagation over the Sierra-Cascade Mountain and Intermountain West." Monthly Weather Review 137: 2000 - 2020.

Sun, R., and S.K. Krueger, M.A. Jenkins, M.A. Zulauf, J.J. Charney (2009). "The importance of fire/atmosphere coupling and boundary--layer turbulence to wildfire spread." International Journal for Wildland Fire. 18: 50 - 60.

Sun, R. K., S. K.; Jenkins, M.A.; Charney, J.J. (2009). "The Importance of Fire/Atmosphere Coupling and Boundary-Layer Turbulence to Wildfire Spread." International Journal for Wildland Fire. 18(1): 50 - 60.

Trujillo, E. M. (2009). Modeling Acid Rock Drainage in a Mine Rock Pile Using a Modified Version of TOUGHREACT. TOUGH 2009 Symposium. Berkeley, California.

Trujillo, E. M. (2009). A User Friendly Graphic Interface for TOUGHREACT. TOUGH 2009 Symposium. Berekely, California.

Wang, H., Cheatham, III, T. E., Lewis, J. (2009). "Differential Electronic States Observed During the A-B DNA Duplex Conformational Transitions." Soft Matter 5: 685 - 690.

Xu, W. Z., E.J.; Liu, C. (2009). "Rainfall characteristics and Convective properties of Mei-Yu precipitation systems over south China and Taiwan, Part I: TRMM observations." Wea. Rev. 137: 4261 - 4275.

Zhang, Y., Ritsema, J., Thorne, M. (2009). "Modeling the ratios of SKKS and SKS amplitudes with ultra-low velocity zones at the core-mantle boundary." Geophysical Research Letters 36: L19303.

Zhdanov, M. S., Cuma, M. (2009). Electromagnetic migration of marine CSEM data in areas with rough bathymetry. SEG International Exposition and 79th Annual Meeting, Houston, TX.

Zhdanov, M. S., Cuma, M., Gribenko, A., and Wilson, G. (2009). Large-scale 3D inversion of marine controlled-source electromagnetic data using the integral equation method. AGU Fall Meeting, EOS. 90: abstract NG23A-1076.

2008 (71) Abassi, R. U., et al. (2008). "Air fluorescence measurements in the spectral range 300-420 nm using 28.5

GeV electron beam." Astroparticle Physics 29: 77 - 86. Austin, J., Reichler, T. (2008). "Long-term evolution of the cold point tropical tropopause: Simulation

results and attribution analysis." J. Geophys. Res 113: D00B10. Cantarel, B. K., I.; Robb; S. M. C.; Parra, G.; Ross, E.; Moore, B.; Holt, C.; Sanchez-Alvarado, A.; Yandell,

M. (2008). "An Easy-to-use Annotation Pipeline Designed for Emergin Model Organism Genones." Genome Reserach 18(188-196).

Chen, et al. (2008). "Magnetism in Nanopatterned Graphite Film." Applied Physical Letters 93: 223106. Corrigan, J. (2008). "Martha Tomhave Blauvelt. The Work of the Heart: Young Women and Emotion,

1780-1830." The American Historical Review 113(3): 827-828. Dutrow, N., Nix, D.A., Holt, D., Milash, B., Dalley, B., Westbroek, E., Parnell, T.J., Cairns, B.R. (2008).

"Dynamic Transcriptome of Schizosaccharomyces Pombe shown in RNA-DNA Hybrid Mapping." Nat Genet. 40(8): 977 - 986.

Espinal, J. F. T., T. N.; Mondragon, F. (2008). Mechanisms of carbon gasification reactions using electronic structure methods. Spectroscopy, Dynamics, and Molecular Theory of Carbon Plasma and Vapors. L. Nemes, Irle, S.

Facelli, J. C., Orendt, A. M., Ferraro, M., Pimienta, I., Bazterra, V. (2008). Crystal Structure Prediction (CSP) of Flexible Molecules with Genetic Algorithms and Standard Force Field [Abstract]. Proceedings of the XII Congress of the International Union of Crystallography.

Facelli, J. C. (2008). The Impact of Grid Computing in Biomedical Informatics. INFOLAC2008 - AAIM. Fennick, J. R. K., J.B.; Leonard, R. H.; Truong, T. N.; Lewis, J. P. (2008). "A cyberenvironment for

crystallography and materials science and an integrated user interface to the Crystallography Open Database and Predicted Crystollography Open Database." J of Applied Crystallography 41:

471 - 475. Fennick, J. R. K., J.B.; Leonard, R. H.; Truong, T. N.; Lewis, J. P. (2008). "A cyberenvironment for

cystallography and materials science and an integrated user interface to the Crystallography Open Database and Predicted Crystallography Open Database." Journal of Applied Crystallography 41: 471-475.

Freedman, H. L., L.; Tuszynski, J. A.; Truong, T. N. (2008). "Improving the Performacne fo the Coupled Reference Interation Site Model (RISM)/Simulation Method for Absolute Free Energy of Solvation." J. Phys Chem B 112: 2340 - 2348.

Green, A., Bribenko, A., Cuma, M., Zhdanov, M.S. (2008). "Preliminary results of 3D Inversion of the EarthScope Oregon MT Data Using the Integral Equation Method." AGU 2008 Fall Meeting.

Han, Y. H., M.; Tringides, M.C.; Liu, F. (2008). "Quantum Modulation of Island Nucleation on Top of a Metal Nanomesa." Surf. Sci 602: 62.

Han, Y. L., F. (2008). "Coulomb Sink Effect on Coarsening of Metal Nanostructures on Surfaces." Front. Phys. China 3: 41.

Han, Y. L., F.; Li, S.; Jia, J.; Zue, Q.; Lee, B. (2008). "Kinetics of Mesa Overlayer Growth: Climbing of Adatoms onto the Mesa Top." Appl. Phys. Lett 92: 021909.

Hanlon, W. (2008). The Energy spectrum of Ultra High Energy Cosmic Rays Measured by the High Resolution Fly's Eye Observatory in Stereoscopic Mode. Ph.D. Ph.D. Dissertation, University of Utah.

Huynh, L. K. Z., S.; Truong, T. N. (2008). "Kinetics of hydrogen abstraction O (3P) + alkane --> OH+alkyl reaction class: An application of the reaction class transition state theory." Combustion and Flame 152(1/2): 177 - 185.

Jenkins, M. A., and S.K. Krueger (2008). The Importance of a LES approach to coupled wilfire/atmosphere modeling. BFRL Annual Fire Conference 2008, NIST, Gaithersubrg, MD.

Joung, I. S., Cheatham, T. E. (2008). "Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations." J. Phys. Chem B 112(30): 9020 - 9041.

Kim, J., Chen, G., Reichler, T. (2008). A possible mechanism for the tropospheric response to stratospheric forcing. SPARC 4th General Assembly, Bologna, Italy.

Kim, J., Kumar, A., Reicher, T. (2008). Predictability of the Arctic Oscillation Associated With Stratospheric Influences in Operational Forecasts. EGU General Assembly, Vienna, Austria.

Kim, J., Reichler, T. (2008). Simulation of Stratospheric Intraseasonal Variability with the GFDL climate model: A low-top and high-top comparison. SPARC 4th General Assembly, Bologna, Italy.

Kim, J., Reichler, T. (2008). Uncertainties in the Climate Mean State of Global Reanalyses, Observations, and the GFDL Climate Model. EGU General Assembly, Vienna, Austria, April 13-18.

Krikov, S. P., R.; Allen-Brady, K.; Cannon-Albright, L. A.; Facelli, J. C. (2008). Enablign GeneHunter as a Grid Service: A Case Study for Implementing Analytical Services for Biomedical Grids [a poster]. American Medical Informatics Association's Annual Symposium, Washington, D.C.

Li, X., Pu, Z. (2008). "Sensitivity of numerical simulations of early rapid intensification of Hurricane Emily (2005) to cloud microphysical and planetary boundary layer parameterizations." Monthly Weather Review 136: 4819 - 4838.

Liu, C. Z., E.J.; Cecil, D. J.; Nesbitt, S.W.; Sherwood, S. (2008). "A cloud and precipitation feature database from 9 years of TRMM observations." J. Appl. Meteor. Climate 47: 2712- 2728.

Liu, C. Z., E.J.; Mace, G.G.; Benson, S. (2008). "Implications of the differences between daytime and nighttime CloudSat observations over the tropics." J. Geophys. Res 113: D00A04.

Lu, J., C. Deser, T. Reichler (2008). Cause of the widening of the tropical belt since 1958. American Geophysical Union Fall Meeting, San Francisco (CA).

Maran, U. C., H.; Frank, M.; Arif, A.; Orendt, A.; Britt, D.; Hlady, V.; Davis, R.; Stang, P. (2008). "Giant Micelles of Organoplatinum(II) Gemini Amphiphiles." Langmuir 24: 5400 - 5410.

McDermott, R. H., W. (2008). A Computer Aided Geometric Model of a Ten-Plane Polyhedral Transformation: Explosion-Implosion. submitted for presentation at Bridges 2008.

Orendt, A. M., Guo, X, Facelli, JC (2008). "13C chemical shielding calculations of actinide complexes [Abstract]." American Chemical Society.

Orrego, J. F. T., T. N.; Mondragon, F. (2008). "A Linear Energy Relationship between Activation Energy

and Absolute Hardness: A Case Study with the O(3P) Atom-Addition Reactions to Polyaromatic Hydrocarbons." J Physical Chem A 112(36): 8205 - 8207.

Price, R. C. B., W.; Bazterra, V. E.; Facelli, J. C. (2008). Digital Sherpa: A Set of High Level Tools to Manage Scientific Applications in a Computational Grid. 2008 MardiGras Conference on Developing Grid Based Applications, Baton Rouge, LA.

Pu, Z. (2008). Assimilation of satellite data in improving numerical simulations of tropical cyclones: progress, challenge and development. Data Assimilation for Atmospheric Oceanic, and Hydrologic Applications, The Springer-Verlag.

Pu, Z. (2008). High resolution numerical simulation of tropical cyclone intensity change with assimilation of satellite, radar, and in-situ data. Ph. D., University of Utah.

Pu, Z., X. Li, C., Velden, W. T. Liu (2008). "Impact of aircraft dropsonde and satellite wind data on the numerical simulation of two landfalling tropical storms during TCSP." Weather and Forecasting 23: 62 - 79.

Pu, Z., Xu, L. (2008). "MODIS/Terra observed snow cover over the Tibet Plateau: Distribution, variation and possible connection with the East Asian summer monsoon (EASM)." Theor. Appl. Climatol.: doi: 10.1007/s00704-00008-00749.

Pu, Z. H., J. (2008). "Ensemble-based Kalman filers in strongly non-linear dynamics." Advances in Atmospheric Sciences 26: 373 - 380.

Pu, Z. L., X.; Velden, C.; Aberson, S.; Liu, W. T. (2008). "Impact of aircraft dropsonde and satellite wind data on numerical simulation of two landfalling tropical storms during TCSP." Weather and Forecasting 23: 62 - 79.

Rai, K., Huggins IJ, James SR, Karpf AR, Jones DA, Cairns B.R (2008). "DNA demethylation in zebrafish involves the coupling of a deaminase, a glycosylase, and gadd45." Cell 135(7): 1201 - 1212.

Rausch, T. T., A.; Camp, N. J.; Cannon-Albright, L. A.; Facelli, J. C. (2008). "A Parallel Genetic Algorithm to Discover Patterns in Genetic Markers that Indicate Predisposition to Multifactorial Disease. ." Computuers in Biology and Medicine 38: 826-836.

Reichler, T., G. Chen, and J. Lu (2008). Decadal trends in the width of the tropical belt. EGU General Assembly, Vienna, Austria, April 13-18.

Reichler, T., and J. Austin (2008). Long-Term Trends in the Tropical Cold Point Tropopause: Simulation Results and Attribution Analysis. EGU General Assembly, Vienna, Austria.

Reichler, T. (2008). A performance metric for climate models. SPARC DynVar workshop, Toronto, Canada, March 27-28.

Reichler, T., G. Chen, and J. Lu (2008). Poleward shift of the global circulation under climate change - a low-top / high-top sensitivity study with the GFDL climate model, Toronto, Canada, March 27-28.

Reichler, T., J. Lu, and G. Chen (2008). Stratospheric role for the widening of the general circulation. SPARC 4th General Assembly, Bologna, Italy.

Reichler, T., J. Kim, and C. Pennell (2008). Towards an objective quantification of climate model performance. International Development and Globalization Program (IGERT, Columbia University, NY, NY.

Reichler, T., Kim, J. (2008). "Uncertainties in the climate mean state of global observations, reanalyses, and the GFDL climate model." J. Geophys. Res 113: D05106.

Reichler, T., and J. Kim (2008). Uncertainties in the climate mean state of global reanalyses, observations, and a modern climate model. Proceedings of the 2nd WCRP International Conference on Reanalysis. Tokyo, Japan, January.

Reichler, T., and J. Austin (2008). What determines tropical tropopause parameters? A modelling study of past and future trends with the AMTRAC coupled chemistry climate model. SPARC 4th General Assembly. Bologna, Italy.

Reichler, T. a. J. K. (2008). How well do coupled models simulate present-day climate? Atmospheric Physics Laboratory, Department of Physics. Universidad Mayor de San Andres, La Paz, Bolivia.

Reichler, T. a. J. K. (2008). "How well do coupled models simulate present-day climate? A comparison of three generations of coupled models." Bull. Amer. Meteor. Soc 89(3).

Reichler, T. a. J. K. (2008). "Uncertainties in the climate mean state of global observations, reanalyses, and the GFDL climate model." J. Geophys. Res 113: D05106, doi:05110.01029/02007JD009278.

Reichler, T. C., G.; Lu, J. (2008). Decadal Trends in the Width of the Tropical Belt. Geopysical Research Abstracats. 10.

Reichler, T. C., G.; Lu, J. (2008). Poleward shift of the global circulation under climate change -- A low-top / high-top sensitivity study with the GFDL climate model. Toronto, Canada.

Rocha, R., Hurdle, J., Matney, S., Narus, S., Meystre S, LaSalle B, Deshmukh V, Hunter C, Mineau G, Facelli JC, Mitchell J (2008). Utah's Statewide Informatics Platform for Translational and Clinical Science [poster].

Shafer, J. C., Steenburgh, W.J. (2008). "Climatology of strong Intermountain cold fronts." Monthly Weather Review 136: 784 - 807.

Shum, W. W. (2008). Magnetic Interactions in Novel Molecule-based Materials. Ph.D. Dissertation, University of Utah.

Smith, G. D. B., O.; Li, L.; Kim, H. (2008). "A Comparison of Ether- and Alkyl-derivatized Imidazolium-Based Room Temperature Ionic Liquids: A Molecular Dynamics Simulation Study." PhysChemChem Phys 10: 6301 - 6312.

Sobczyk, M. N., D.; Simons, J. (2008). "Theoretical study of through-space and through-bond electron transfer within positive charged peptides in the gas phase." Inter. J. Mass Spec. 269: 149 - 164.

Staes C, L. S., Price R, Xu W, Duncan J, Scott W, Contreras J, Lui Z, Gundlapalli, A, Facelli, JC. (2008). Utah phGRID demonstration project: grid-enabling the Environmental Public Health Tracking Network [Abstract]. PHIN Conference.

Staes CJ, X. W., LeFebre D, Narus SP, Gundlapalli A, Samore M, Facelli JC (2008). A Case for Using Grid Architecture in State Public Health Informatics: The Utah Perspective [poster].

Staes, C. L., S.; Price, R.; Zu, W.; Duncan, J.; Scott W.; Contreras, J.; Kui, Z.; Gundlapalli, A.; Facelli, J. C. (2008). Utah phGRID Demonstration Project: Grid-enabling the Environmental Public Health Tracking Network [Abstract]. 2008 PHIN conference.

Steenburgh, W. J., Alcott, T.I. (2008). "Secrets of the "Greatest Snow on Earth"." Bull. Amer. Meteor. Soc 89: 1285 - 1293.

Stoll, R. P.-A. (2008). "Large-eddy simulation of the stable atmospheric boundary layer using dynamic models with different averaging schemes." Boundary-Layer Meteorology 126(1): 28.

Svozil, D., Sponer, J.E., Marchan, I., Perez, A., Cheathan, III, T. E., Luque, J., Orozco, M., Sponer, J. (2008). "Geometrical and Electronic Structure Variability of the Sugar-Phosphate Backbone in Nuceic Acids." J Physical Chem B 112(27): 8188 - 8197.

Videla, A. R. L., C. L.; Miller, J. D. (2008). "Simulation of Saturated Fluid Flow in Packed Particle Beds - The Lattice-Boltzmann Method for the Calculation of Permeability from XMT Images." Journal of the Chinese Institute of Chemical Engineers 39(2): 117 - 128.

Wang, Y. T., T. N. (2008). "Cluster formation Model in Vapor Deposition of Pd Atoms on the Perfect Mg (100) Surface and on its Surface Oxygen Vacancy." J Physical Chem C 112(13674 - 13680).

Zhu, e. a. (2008). "Dual-Surfactant Effect to Enhance p-Type Doping in III-V Semiconductor Thim Films." Physical REview Letters 101: 196103.

Zhu, J. Y., Liu, F., Stringfellow, G. B. (2008). "Dual-surfactant effect on enhancing p-type doping in III-V semiconductor thin films." Physical Review Letters 101: 196103.

2007 (40) Abassi, R. U., et al. (2007). "Studies of systematic uncertainties in the estimation of the monocular

aperture of the HiRes experiment." Abbasi, R. U., et al. (2007). "Alternative Methods to Finding Patterns in HiRes Stereo Data." Auffinger, P. C., T. E.; Vaiana, A.C. (2007). "Spontaneous Formation of KCL Aggregates in Biomolecular

Simulations: A Force Field Issue?" J. Chem. Theory Comp. 3: 1851 - 1859. Bazterra, V. E. T., M.; Ferraro, M.; Facelli, J.C. (2007). "A Distributed Computing Method for Crystal

Structure Prediction of Flexible Molecules: An Application to N-(2-dimethyl-4,5-dinitrophenyl) Acetamide." J Chem Theor Comput 3: 201 - 209.

Bhat, M. H. M., V.; Soignard, E.; Solomon, V. C.; Sastry, S.; Yarger, J. L.; Angell, C. A. (2007). "Vitrification of a monatomic metallic liquid." Nature 448: 787- 791.

Borodin, O. L., Q.; Smith, G. D. (2007). Quantum Chemistry and MD Simulation Studies of Fluorinated Ionomers. 212th ECS, Washington, D.C.

Borodin, O. S., G. D.; Rees, R. (2007). Molecular Dynamics Simulations of Ionic Liquids and Lithium Transport in Them. Annual AIChE Meeting, Salt Lake City, UT.

Borodin, O. S., G. D. (2007). Molecular Dynamics Simulations of Lithium Transport in Bulk Electrolytes and at Interfaces. 212th ECS, Washington, D.C.

Borodin, O. S., G. D. (2007). Molecular Dynamics Simulations of Lithium Transport in Bulk Electrolytes and at the Electrolyte/electrode Interface. Annual AIChE Meeting, Salt Lake City, UT.

Cantarel, B. K., I.; Robb; S. M. C.; Parra, G.; Ross, E.; Moore, B.; Holt, C.; Sanchez-Alvarado, A.; Yandell, M. (2007). "MAKER: An Easy-to-Use Annotation Pipeline Designed for Emerging Model Organism Genomes." Genome Reserach 18: 188 - 196.

Chen, H., Ilan, B., Wu, Y., Zhu, F., Tajkhorshid, E., Schulten, K., and Voth, G.A. (2007). "Electrostatics and Charge Delocalization in Proton Channels, I: The Aquaporin Channels and Proton Blockage." Biophysical Journal 92(1): 46 - 60.

Endo, M. C., M.; Zhdanov, M.S. (2007). "Multigrid IE method for large-scale models with inhomogeneous background." SEG Expanded Abstracts 26: 554.

Espinal, J. F., Truong, T.N., Mondragon, F. (2007). "Mechanisms of NH3 formation during the reaction of H2 with nitrogen containing carbonaceous materials." CARBON 45(11): 2273-2279.

Facelli, J. (2007). Modeling NMR Chemical Shifts. Modern Magnetic Resonance, Springer: 49-58. Florez, E. M., F.; Truong, R. N.; Fuentealba, P. (2007). "Density functional theory characterization of the

formation of copper clusters on Fs and Fs+ center on a MgO surface." Surface Science 601(3): 656-664.

Hawkins, W., McDermott, R. (2007). "A Ten-Plane Polyhedral Transformation: Explosion-Implosion." unpublished.

Huynh, L. K., Rakiewicz, A., Truong, T.N. (2007). "Kinetics of the Hydrogen Abstraction CHO+ Alkane --> HCHO + Alkyl Reaction Class: an Application of the Reaction Class Transition State Theory." Theoretical Chemistry Accounts 120: 107 - 118.

Huynh, L. P., S.; Ratkiewicz, A.; Truong, T. N. (2007). "An Ab Initio Study of the Kinetics of Hydrogen Abstraction for the H+ Alkene --> H2 + Alkenyl Reaction Class." J Physical Chem A 111(11): 2156 - 2165.

Jenkins, M. A., Sun, R., Krueger, S., Charney, J., Zuluaf, M. (2007). Effect of Vertical Wind Shear on Grassfire Evolution. 7th Symposium on Fire and Forest Meteorology, Bar Harbor, Maine.

Johnson, W. P., Li, X.; Yal, G. (2007). "Colloid Retentioin in Porous Media: Mechanistic Confirmation of Wedging and Retention in Zones of Flow Stagnation." Environ. Sci, Technol 41: 1279 - 1287.

Kalcher, J., Skurski, P., Simons, J. (2007). "Electron binding capabilities of some silylenes having small singlet-triplet splitting triplet ground states." J. Phys. Chem. A 111: 401 - 410.

Krishnamurthy, M., Simon, K., Orendt, A., Beal, P. A. (2007). "Macrocyclic Helix-Threading Peptides for Targeting RNA." Angew. Chem. Int. Ed. 46: 7044 - 7047.

Lui, Q. B., O.; Smith, G. D. (2007). The Hydration and Proton Dissociation in the Interaction Between Fluorocarbon-Based Phosphonic Acid and Water Clusters. AIChE Meeting, Salt Lake City, UT.

Ma, Z., Halling, M. D., Solum, M. S., Harper, J. K., Orendt, A. M., Facelli, J.C., Pugmire, R., Grant, D. M., Amick, A. W., and Scott L. T. (2007). "Ring Current Effects in Crystals, Evidence from 13C Chemical Shift Tensors for Intermolecular Shielding in 4,7-Di-t-butylacenaphthene versus 4,7-Di-t-butylacenaphythylene." Journal of Physical Chemistry A 111: 2020 - 2027.

Ma, Z., Facelli, J.C., Pugmire, R.J., Dunn, B.C., Turpin, G.C., Eyring, E.M., Ernst, R.D. (2007). "Solid State 13C NMR and Quantum Chemical Investigation of Metal Diene Complexes." Magn Reson Chem 45: 393-400.

McDermott, R. (2007). Building Models to Transition From Dimension to Dimension. Bridges Donostia -- Mathematical Connections in Art, Music and Science, San Sebastian (Donostia), Spain, Tarquin Publications.

Mell, W., Jenkins, M.A., Gould, J., Cheney, P. (2007). "A Physics Based Approach to Modeling Grassland Fires." International Journal for Wildland Fire 16(1 - 22).

Novoa, J. N., Ribas-Arino, J., Shum, W. W., Miller, J. S. (2007). "Control of Two-Electron Four-Center

(2e-/4c) C-C Bond Formation Observed for Tetracyanoethenide Dimerization, [TCNE22-." Inorganic

Chemistry 46: 103-107. Orendt, A. M., Facelli, J.C. (2007). "Solid State Effects on NMR Chemical Shifts [review]." Annual Reports

on NMR Spectroscopy 62(115-178). Perez, A., Marchan, I., Svozil, D., Sponer, J., Cheatham, T.E., Laughton, C.A., Orozco, M. (2007).

"Refinement of the AMBER force field for nuclleic acids. Improving the description of α/γ conformers." Biophys. J. 92(11): 3817 - 3829.

Reichler, T. (2007). Widening of the Tropics During the 20th Century: Observations vs. Simulations. American Geophysical Union Fall Meeting, San Francisco, CA.

Robb, S. M. C., Ross, E., Sanchez-Alvarado, A. (2007). "SmedGD: the Schmidtea mediterranea Genome Database." Nucleic Acids Research 36: D599-D606.

Shao, J. T., S. W.; Thompson, N.; Cheatham, T. E., (2007). "Clustering Molecular Dynamics Trajectories: I. Characterizing the Performance of Different Clustering Algorithms." J. Chem. Theory Comp. 3: 2312.

Skurski, P., Sobczyk, M., Joakowski, J., and Simons, J. (2007). "Possible mechanisms for protecting N-Cα bonds in helical peptides from electron-capture (or transfer) dissociation " Inter. J. Mass. Spec. 265(2-3): 197 - 212.

Theodore, M., Sobczyk, M., Simons, J. (2007). "Cleavage of Thymine N3-H bonds by low-energy electrons attached to base π*orbitals." Chem. Phys. 329(1-3): 139 - 147.

West, G. L., Steenburgh, W.J., Cheng, W. Y. (2007). "Spurious grid-scale precipitation in the North American Regional Reanalysis." Monthly Weather Review 135: 2168 - 2184.

Wierzbicki, A., Cheatham, T.E., Dalal, P., Knickelbein, J.E., Haymet, A.D.J., and Madura, J.D. (2007). "Antifreeze proteins at the ice/water interface: Three calculated discriminating properties for orientation of type I proteins." Biophys. J. 93(5): 1442 - 1451.

Wu, Y., Ilan, B., Voth. G.A. (2007). "Electrostatics and Charge Delocalization in Proton Channels. II. The Synthetic LS2 Channel and Proton Selectivity." Biophysical Journal 92( 1): 61 - 69.

Zhdanov, M. S. G., A.; and Cuma, M. (2007). "Regularized focusing inversion of marine CSEM data using minimum vertical-support stablizer." SEG Expanded Abstracts 26: 579.

Zhdanov, M. S. U., T. (2007). "Joint iterative migration of electric and magnetic-field data." SEG Expanded Abstracts 26: 599.

2006 (54) Anusiewicz, I., Berdys-Kochanska, J., Skurski, P., Simons, J. (2006). "Simulating Electron Transfer

Attachment to a Positively Charged Model Peptide." J. Phys. Chem. A 110: 1261 - 1266. Bagnato, J. D., Shum, W., Strohmeier, M., Grant, D., Atta, M. A., Miller, J. S. (2006). "The Structure of

Fractinoally Charged Tetracyanobenzenen- Present in [TCNB]32-." Angew. Chem. Int. Ed. 45: 5322 - 5326.

Cardoen, W., Gdanitz, R. J., Simons, J. (2006). "Barrier height, exothermicity, and van der Waals wells on the F + H2 → F Ground-State Surface Calculated at the r12=ACPF-2 level." J. Phys. Chem. A 110: 564-571.

Cardoen, W., Simons, J., Gdanitz, R. J. (2006). "F + H2 → FH + H Potential Energy Surface: Construction of the Reference Configuration State Function Space and MR-ACPF-2 Results." International Journal of Quantum Chemistry 106: 1516 - 1527.

Cardoen, W., Gdanitz, R. J., Simons, J. (2006). "Transition-State Energy and Geometry, Exothermicity, and van der Waals Wells on the F + H2 → FH + H Ground-State Surface Calculated at the r12-ACPF-2 Level." Journal of Phys. Chem. A 110: 564 - 571.

Cheatham, I., T.E., and Case, D.A. (2006). Applying AMBER biomolecular simulation methods to DNA and RNA: Insight into the dynamics, interactions and energetics of varied nucleic acid structures. Computational Studies of DNA and RNA. J. a. L. Sponer, F.: 45 - 72.

Cheatham, T. E., III., Case, D. A. (2006). Using AMBER to simulate DNA and RNA. Computational Studies of DNA and RNA. J. Sponer, Lankas, F., Wiley: 45 - 72.

Chevallier, C., Bugni, T. S., Feng, X., Harper, M. K., Orendt, A. M., Ireland, C. M. (2006). "Tedanolide C:

A Potent New 18-Membered-Ring Cytotoxic Macrolide Isolated from the Papua New Guinea Marine Sponge Ircinia sp." Journal of Organic Chemistry 71: 2510 - 2513.

Chu, J.-W., and G.A. Voth (2006). "Coarse-Grained Modeling of the Actin Filament Derived from Atomistic-Scale Simulations." Biophys. J. 90(5): 1572 - 1582.

Difley, S., Simons, J. (2006). "The Role of Angular Electron Pair Correlation in Stablilizing C602-." Inter. J.

Quantum Chem: 507-513. Ehlers, J. R., N.G.; Huynh, L.K.; Pham H.; Marks, M.; Truong, T. N. (2006). "Theoretical study on

mechanism of epoxy-amine curing reactions." Macromolecules 40(12): 4370 - 4377. Facelli, J. C. (2006). "Intermolecular Shielding by Molecular Magnetic Susceptibility. A New View of

Intermolecular Ring Current Effects." Magnetic Resonance in Chemistry 44: 401-408. Florez, E., Mondragon, F., Truong, T. N., Fuentealba, P. (2006). "Transition-metal atom adsorption on an

Fs defect site of MgO (100) and the interaction with a hydrogen atom." Physical Review B: Condensed Matter and Materials Physics 73(11): 115423/115421-115423/115427.

Harper, J. K., Grant, D. M., Zhang, Y., Lee, P. L., Von Dreele, R. (2006). "Characterizing Challenging Microcrystalline Solids with Solid-State NMR Shift Tensor and Synchrotron X-ray Powder Diffraction Data: Structural analysis of Ambuic Acid." J American Chem Society 128: 1547 - 1552.

Huynh, L. K., Ratkiewicz, S., Truong, T. N. (2006). "Kinetics of the Hydrogen Abstraction OH + Alkane --> H2O + Alkyl Reaction Class: An Application of the REaction Class Transition State Theory." Journal of Phys. Chem. A 110(2): 473-484.

Kick, E., Davis, B., and Kentor, J. (2006). "A Cross-National Analysis of Militarization and Inequality." Journal of Political and Military Sociology 34(2 (Winter)): 319-337.

Kick, E. L., Fraser, J.C., and Davis, B. L. (2006). "Performance Management, Managerial Citizenship, and Worker Commitment: A Study of the United States Postal Service with Some Global Implications." Economic and Industrial Democracy 27: 137-172.

Li, X., Zhaoxia P. (2006). Sensitivity of numerical simulations of Hurrican Emily (2005) to cumulus and microphysical parameterizations. AMS 27th Conference on Hurricane and Tropical Meteorology.

Massoth, F. W., Politzer, P., Concha, M.C., Murray, J.S., Jakowski, J., Simons, J. (2006). "Catalytic Hydrodeoxygenation of Methyl-Substituted Phenols: Correlations of Kinetic Parameters with Molecular Properties." J. Phys. Chem. B 110: 14283 - 14291.

Massoth, F. W., Politzer, P., Concha, M.C., Murray, J.S., Jakowski, J., Simons, J. (2006). "Kinetics of catalytic hydrodeoxygenation of methyl-substituted phenols: Correlations with molecular properties." J. Phys. Chem 110: 14280-14291.

Maupin, C. M., K.F. Wong, A.V. Soudakov, S. Kim, and G.A. Voth (2006). "A Multi-State Empirical Valence Bond Description of Protonatable Amino Acids." J. Phys. Chem. A. 110( 2): 631 - 639.

McDermott, R. (2006). Building Simple and Not So Simple Stick Models. Bridges London -- Mathematical Connections in Art, Music, and Science, London, England, Tarquin Publications.

McDermott, R. (2006). Transformations of Vertices, Edges and Faces to Derive Polyhedra. Bridges London -- Mathematical Connections in Art, Music, and Science, London England.

Moision, R. M., and P. B. Armentrout (2006). "The Special Five-Membered Ring of Proline: An Experimental and Theoretical Investigation of Alkali Metal Cation Interactions with Proline and Its Four- and Six-Membered Ring Anaglogs." J. Phys. Chem. A. 110( 11): 3933 - 3946.

Nichols, C., Deal, S., Rogers, TJ, Miklavcic, J., Miklavcic, B., Ayromlou, M., Wachtel, R., Mercer, P., Humbert, J., King, R. (2006). Musical Performance over Internet2 using the AccessGrid. International Computer Music Conference, Tulane University, New Orleans, LA.

Ona, O., Bazterra, V., Caputo, M., Facelli, J., and Ferraro, M. (2006). Global Optimization of Atomic cluster Structures Using Parallel Genetic Algorithms. Material Res. Soc. Symposium Proceedings, Materials Research Society.

Ona, O., Bazterra, V., Caputo, M., Facelli, J., Fuentealba, P., and Ferraro, M. (2006). "Modified genetic algorithms to model cluster structures in medium-sized silicon clusters: Si18-Si60." Physical Review A 73: 053203-053201 - 053203-053211.

Orendt, A., Roberts, SW, and Rainier, JD (2006). "The Role of Asynchronous Bond Formation in the Diastereoselective Epoxidation of Cyclic Enol Ethers: A Density Functional Theory Study."

Journal of Organic Chemistry 71: 5565-5573. Orendt, A. M. (2006). "Revisiting the calculation of 13C chemical shift tensors in cadmium acetate

dihydrate with EIM and EIM/cluster methods." Magnetic Resonance in Chemistry 44: 385 - 389. Orendt, A. M., Roberts, Rainier, J. (2006). "The Role of Asynchronous Bond Formation on the

Diastereoselective Epoxidation of Cyclic Enol thers: A Density Functional Theory Study." J. Org. Chem,. 71: 5565 - 5573.

Paesani, F., Zhang, W., Case, D.A., Cheatham, T.E., and Voth, G.A. (2006). "An accurate and simple quantum model for liquid water." J. Chem. Phys. 125: 184507.

Paramore, S., G.S. Ayton, and G.A. Voth (2006). "Extending a Spectrin Repeat Unit I. Linear Force-Extension Response." Biophys J 90(1): 92 - 100.

Pu, Z., Li, X. (2006). Numerical simulations of tropical cyclones during TCSP: The impact of data assimulation and sensitivity to cumulus and microphysical schemes in the WRF model. 7th Annual WRF User's workshop, Boulder, CO.

Pu, Z. a. X. L. (2006). Assimilation of satellite and in situ observations during TCSP for understanding tropical cyclone intensification. AMS 27th Conference on Hurricane and Tropical Meteorology.

Sefzik, T. H., Fidler, J. M., Iulicci, R., Facelli, J. C. (2006). "Modeling the 13C Chemical-shift Tensor in Organic Single-crystals by Quantum Mechanical Methods: Finite Basis Set Effects." Magnetic Resonance in Chemistry 44: 390-400.

Shafer, J. c., Steenburgh, J.A., Cox, J.A. W., Monteverdi, J. P. (2006). "Terrain influences on synoptic storm structure and mesoscale precipitation distribution during IPEX IOP3." Monthly Weather Review 134: 478 - 497.

Simons, J. (2006). "How Do Low-Energy (0.1 - 2 eV) Electrons Cause DNA-Strand Breaks?" Accounts of Chemical Research 39(10): 772 - 779.

Simons, J. (2006). "How very low-energy (0.1 - 2 eV) electrons cause DNA strand breaks." Advances in Quantum Chemistry 52: 171 - 188.

Sobczyk, M., Simons, J. (2006). "Distance dependence of through-bond electron transfer rates in electron-capture and electron-transfer dissociation." International Journal of Mass Spectrometry 253: 274 - 280.

Sobczyk, M., Simons, J. (2006). "The Role of Excited Rydberg States in Electron Transfer Dissociation." J. Phys. Chem. B 110: 7519 - 7527.

Spackova, N., Cheatham, T.E., and Sponer, J. (2006). Molecular dynamics simulations of nucleic acids. Computational Studies of DNA and RNA. F. L. J. Sponer: 301-326.

Stoll, R. P.-A. (2006). "Dynamic subgrid-scale models for momentum and scalar fluzes in large-eddy simulations of neutrally stratified atmospheric boundary layers over heterogeneous terrain." Water Resources Res 42: W01409.

Strohmeier, M., Barich, D. H., Grant, D. M., Miller, J. S., Pugmire, R. J., Simons, J. (2006). "Solid-state NMR Spectra and Long Intradimer Bonds in the π − [TCNE]2

2- Dianion" J. Phys. Chem. A 110(25): 7962 - 7969.

Sun, R., Jenkins, M.A., Krueger, S., and Charney, J. (2006). "An evaluation of fire plume properties simulated with the FDS and Clark coupled wildfire model." Canadian Journal of Forest Research 36(11): 2894 - 2908.

Sun, R., Jenkins, M.A., Krueger, S., and Charney, J. (2006). Wildfire evolution in the convective boundary layer. 17th Symposium on Boundary Layers and Turpulence, San Diego, CA

Sun, R. J., M.A.; Krueger, S.; Charney, J. (2006). "An Evaluation of Fire Plume Properties Simulated with the FDS and Clark Coupled Wildfire Model." Can. J. For. Res. 36: 2894 - 2908.

Truong, T. N., Nayak, M., Huynh, H., Cook, T., Mahajan, P., Tran, L., Bharath, J., Jain, S., Pham, H., Boonyasiriwat, C., Nguyen, N., Andersen, E., Kim, Y., Choe, S., Choi, J., Cheatham, T.E., Facelli, J. (2006). "Computational Science and Engineering Online (CSE-Online): A Cyber-Infrastructure for Scientific Computing." Journal of Chem. Inf. Model. 46: 971- 984.

Violi, A. a. V., A. (2006). "Combustion-generated nanoparticles produced in a bensene flame: A multiscale approach." Journal of Chemical Physics 125(054302).

Wang, Y., Florez, E., Mondragon, F., Truong, T.N. (2006). "Effects of metal-support interactions on the electronic structures of metal atoms adsorbed on the perfect and defective (100) surfaces."

Surface Science 600(9): 1703-1713. Wijitkosoom, A., Tonmunphean, S., Truong, T.N., Hannongbua, S. (2006). "Structural and dynamical

properties of a full-length HIV-1 integrase: molecular dynamics simulation." Journal of Biomolecular Structure and Dynamics 23(6): 613-624.

Wu, Y., H.L. Tepper, and G.A. Voth (2006). "A Flexible Simple Point-Charge Water Model with Improved Liquid-State Properties." J. Chem. Phys. 124(2 ): 024503.

Yu, J., G.T. Schuster, and R. Estill (2006). "Prestack Migration Deconvolution." Geophysics. 71(2): S53 - S62.

Zhang, H. R., Pham, M., Truong, T. N., Eddings, E.G., Sarofim, A.F. (2006). "Polymerization reactions of aromatics in a fuel-rich 20 torr naphthalene premixed flame enhanced by ring closure steps." Preprints of Symposia, American Chemical Society, Division of Fuel Chemistry 51(2): 733-735.

Zhdanov, M. S. L., S. K.; Yoshioka, K. (2006). "Integral equation method for 3D modeling of electromagnetic fields in complex structures with inhomogeneous background of conductivity." Geophysics 71: G333 - G345.

2005 (86) Abbasi, R. U., et al. (2005). "Observation of the Ankle and Evidence for a High-Energy Break in the

Cosmic Ray Spectrum." Phys. Lett. B. 619( ): 271-280. Abbasi, R. U., et al. (2005). "A Search for Arrival Direction Clustering in the HiRes 1 Monocular Data

Above 1019.5 eV. ." Astrophys. J. 22: 139-149. Abbasi, R. U., et al. (2005). "Search for Point Sources of Ultra-High Energy Cosmic Rays above 4.0 1019

eV Using a Maximum Likelihood Ratio Test. ." Astrpohys. J. 623: 164-170. Abbasi, R. U. e. a. T. H. R. F. s. E. C. (2005). "Search for Global Dipole Enhancements in the HiRes-I

Monocular Data above 1018.5 e V. ." Astroparticle Phys. 21: 111-123. Abbasi, R. U. e. a. T. H. R. F. s. E. C. (2005). "Study of Small-Scale Anisotropy of Ultra-High Energy

Cosmics Rays Observed in Stero by HiRes." Astrophys. J. 610: 73-76. Abbasi, R. U. e. a. T. H. R. F. s. E. C. (2005). "A Study of the Composition of Ultra-High Energy Cosmic

Rays Using the High Resolution Fly's Eye." Astrophys. J. 622: 910-926. Anusiewicz, I., Jasionowski, M., Skurski, P., Simons, J. (2005). "Backbone and Side-Chain Cleavages in

Electron Detachment Dissociation (EDD)." J. Phys. Chem. A 109: 11332 - 11337. Anusiewicz, I., Berdys-Kochanska, Joanna, Czaplewiski, Cezary, Sobcyk, Monika, Daranowski, Emma,

Skurski, Piotr, Simons, Jack. (2005). "Charge Loss in Gas-Phase Multiply Negatively Charged Oligonucleotides." J. Phys. Chem. A. 109: 240-249.

Anusiewicz, I., Berdys., J.; Sobczyk, M.; Sawicka, A.; Skurski, P.; Simons, J. (2005). "Coulomb-Assisted Dissociative Electron Attachment: application to a Model Peptide." J. Phys. Chem A109: 250 - 258.

Anusiewicz, I., Berdys-Kochanska, Joanna, Simons, Jack (2005). "Electron Attachment Step in Electron Capture Dissociation (ECD) and Electron Transfer Dissociation (ETD)." J. Phys. Chem. A. 109( ): 5801-5813.

Anusiewicz, M. S., Berdys-Kochanska, J., Skurski, P., and Simons, J. (2005). "A theoretical model for indirect dissociative electron attachment." Journal of Physical Chemistry A 109: 484-492.

Ayton, G., Tepper, H.L., Miriganian, D. T., and Voth, G.A. (2005). "A New Perspective on Coarse-grained Dynamics of Fluids." Journal of Chemical Physics 120: 4074-4088.

Ayton, G. S., McWhirter, J. L. McMurtry, P. and Voth, G.A. (2005). "Coupling field theory with continuum mechanics: a simulation of domain formation in giant unilammellar vesicles." Biophys J 88: 3855-3869.

Bazterra, V. E., Cuma, M., Ferraro, M. B., Facelli, J. C. (2005). "A General Framework to Understand Parallel Performance in Heterogeneous Clusters: Analysis of a New Adaptive Parallel Genetic Algorithm." J. of Parallel and Distributed Computing 65: 48-57.

Bazterra, V. E. (2005). "Modified Genetic Algorithm to Model Crystal Structures: III. Determination of Crystal Structure Allowing Simultaneous Molecular Geometry Relaxation." International Journal of Quantum Chemistry 96: 312-320.

Blood, P. R., G.S. Ayton, and G.A. Voth (2005). "Probing the Molecular-Scale Lipid Bilayer Response to Shear Flow using Nonequilibrium Molecular Dynamics." J. Phys. Chem. B. 109: 18673-18679.

Borges, C. R., Taccogno, J., Crouch, D. J., Le, L. Truong, T. N. (2005). "Structure and mechanism of formation of an important ion in doping control." International Journal of Mass Spectrometry 247(1-3): 48-54.

Burns, T. J., Kick, E.L., Davis, B. L. (2005). Theorization and a Cross-National Analysis of Deforestation. Globalization and the Environment. Leiden, England, Brill Academic Publishers.

Case, D. A., Cheatham, T. E., III, Darden, Gohlke, H., Luo, R., Merz, K. M., Jr., Onufrieve, A., Simmerling, C., Wang, B., Woods, R. (2005). "The AMBER Biomolecular Simulation Programs." J. Comp. Chem. 26: 1668 - 1688.

Chang, R., G.S. Ayton, and G.A. Voth (2005). "Multi-Scale Coupling of Mesoscopic and Atomistic-Level Lipid Bilayer Simulations." J. Chem. Phys. 122: 244716.

Cheatham, T. E., III (2005). "Molecular Modeling and Atomistic Simulation of Nucleic Acids." Ann. Reports Comp. Chem 1: 75-89.

Chu, J. W. a. V., G.A. (2005). "Allostery of Actin Filaments: Molecular Dynamics Simulations and Coarse-Grained Analyses." Proc. Natl Academy of Science 102(13111-13116).

Day, G. M., Motherwell, W. D. S., Ammon, H. Boerrigter, S. X. M., Della Valle, R. G., Venuti, E., Dzyabchenko, A., Dunitz, J., van Eijck, B. P., Erk, P., Facelli, J. C., Bazterra, V. E., Ferraro, M. B., Hofmann, D. W. M., Leusen, F. J. J. Liang, C., Pantelides, C., Karamertzanis, P. G., Price, S. L., Lewis, T. C. Torrissi, A., Nowell, H., Scheraga, H., Arnautova, Y., Schmidt, M. U. Schweizer, B., Verwer, P. (2005). "A Third Blind Test of Crystal Structure Prediction." Acta Crystall B61: 511-527.

Difley, S., Simons, J. (2005). "Role of Angular Electron Pair Correlation in Stabilizing C2-60." International Journal of Quantum Chemistry 106: 507 - 513.

Dixit, S. B., Beveridge, D. L., Case, D. A., Cheatham, T. E., III., Giudice, S., Lankas, F., Lavery, R., Maddocks, J., Osman, R., Sklenar, H., Thayer, K. M., Varnai, P. (2005). "Molecular Dynamics Simulations of the 136 Unique Tetranucleotide Sequences of DNA Obligonucleotides. II. Sequence Context Effects on the Dynamical Structures of the 10 Unique Dinucleotide Steps. ." Biophys J. 89: 3721-3740.

Espinal, J. F., Truong, T.N., Mondragon, F. (2005). "Mechanisms for methane and ethane formation in the reaction of hydrogen with carbonaceous materials." Carbon 43(9): 1820-1827.

Facelli, J. C., Sefzik, T.H., Turco, D., and Iuliucci, R.J. (2005). "Modeling NMR Chemical Shift: A Survey of Density Functional Theory Approaches for Calculating Tensor Properties." Journal of Physical Chemistry 109: 1180-1187.

Freedman, H., Truong, T.H. (2005). "An Application of Coupled Referenced Interaction Site Model (RISM)/Molecular Dynamics (MD) Method to the Conformational Analysis of the Alanine Dipeptide." J. Phys. Chem. B. 121(24): 12447-12457.

Freedman, H., Truong, T. N. (2005). "A coupled reference interaction site model/molecular dynamics study of the potential of mean force curve of the SN2 Cl-+CH3Cl reaction in water." Journal of Physical Chemistry B 109(10): 4726-4730.

Geva, E., S. Jang, and G.A. Voth (2005). Chapter 5: Quantum Rate Theory: A Path Integral Centroid Perspective. Handbook of Materials Modeling. S. Yip, SpringerLink.

Hone, T. D., Izvekob, S., and Voth, G.A. (2005). "Fast Centroid Molecular Dynamics: A Force-Matching Approach for the Predetermination of the Effective Centroid Forces." J . Chem. Phys. 122: 054105(054101-054107).

Huynh, L. K., Truong, T. N. (2005). "First-priciples kinetics for combustion systems using reaction class transition state theory." Preprints of Symposia - American Chemical Society, Division of Fuel Chemistry 50(1): 82 - 85.

Iyengar, S. S., Day, T. J. F., and Voth, G.A. (2005). "On the Amphiphilic Behavior of the Hydrated Proton: An Ab Initio Molecular Dynamics Study." Int. J. Mass Spec. 241: 197-204.

Iyengar, S. S., M.K. Petersen, T.J.F. Day, C.J. Burnham, V.E. Tiege, and G.A. Voth (2005). "The Properties of Ion-Water Clusters. I. The Protonated 21-Water Cluster." J. Chem. Phys. 123: 084309.

Izvekov, S., and Voth, G.A. (2005). "Ab Initio Molecular Dynamics Simullation of Aqueous Proton Solvation and Transport Revisited." J. Chem. Phys. 123: 044505 (044501-044509).

Izvekov, S., and G.A. Voth (2005). "Effective Force Field for Liquid Hydrogen Fluoride from Ab Initio Molecular Dynamics Simulation Using the Force-Matching Method." J. Phys. Chem. B. 109: 6573-6586.

Izvekov, S., and G.A. Voth (2005). "Multi-Scale Coarse-Graining of Liquid State Systems." J. Phys. Chem. 123(134105).

Izvekov, S., A. Violi, and G.A. Voth (2005). "Systematic Coarse-Graining of Nanoparticle Interactions in Molecular Dynamics Simulation." J. Phys. Chem. B. 109: 17019-17024

Jenkins, M. A., Mell, W., Sun, R., Krueger, S., Zuluaf, M., and Charney, J. (2005). Numerical modeling of wildfires. Workshop on Firest Fires and Point Processes., University of Toronto.

Jeon, J., and G.A. Voth (2005). "The Dynamic Stress Responses to Area Change in Planar Lipid Bilayer Membranes." Biophys. J. 88: 1104-1119

Jiang, Z., J. Yu, B. Hornby, and G.T. Schuster (2005). "Migration of Multiples." The Leading Edge 24: 315-318.

Jui, C. H., et. al. (2005). "Observation of the Ankle and Evidence for a High-Energy Break in the Cosmic Ray Spectrum." Phys. Letters B 619(3-4): 271 - 280.

Jui, C. H., et. al. (2005). "Search for Point Sources of Ultra-High Energy Cosmic Rays above 4.0 1019 eV Using a Maximum Likelihood Ratio Test." Astrophys. J. 623: 164-170.

Jui, C. H., et. al. (2005). "A Study of the Composition of Ultra-High Energy Cosmic Rays Using the High Resolution Fly's Eye." Astrophys. J. 622: 910-926.

Jungsuttiwong, S., Limtrakul, J., Truong, T.H. (2005). "Theoretical study of modes of adsorption of water dinner on H-ZSM-5 and H-Faujasite Zeolites." Journal of Physical Chemistry B 109(27): 13342-13351.

Ka, B. J., and G.A. Voth (2005). "An Efficient and Accurate Implementation of Centroid Molecular Dynamics Using a Gaussian Approximation." J. Phys. Chem. A. 109(50 ): 11609 - 11617.

Kim, W. S., J. Kim, J.K. Park, S.Mukamel, S.K. Rhee, Y.K. Choi, and J.Y. Lee (2005). "Stacking Effect of Polyfluorene on the Chemical Shift and Electron Transport." J. Phys. Chem. B. 109: 2686-2626.

Kungwan, N., Truong, T. N. (2005). "Kinetics of the Hydrogen Abstraction .bul.CH3 + Alkane -->CH4 + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory." Journal of Physical Chemistry A 109(34): 7742-7750.

Lloyd, R. D., F.W. Bruenger, G.N. Taylor, and S.C. Miller (2005). "Search for a Genetic Link for Mammary Cancer in a Beagle Colony." In Vivo 19: 723-728.

Lu, G., Huang, Feng L. (2005). "Towards Quantitative Understanding of Formation and Stability of Ge Hut Island on Si(001)." Phys. Rev. Lett. 94: 176103.

Lu, G.-H., Cuma, M., Feng Liu (2005). "First-prinicples Study of Strain Stabilization of Ge(105) Facet on Si(001)." Phys. Rev. Lett. B. 72: 125415.

Lu, G.-H., M. Huang, M. Cuma, and F. Liu (2005). "Relative Stability of Si Surfaces: a First Principles Study." Surface Science 588: 61-70.

McDermott, R. (2005). A Physical Proof for Five and Only Five Regular Solids. Renaissance Banff -- Bridges: Mathematical Connections in Art, Music and Science.

McDermott, R. (2005). Polyhedral Transformation: Explosion-Implosion. Renaissance Banff -- Bridges: Mathematical Connections in Art, Music and Science, Banff, Alberta, Canada.

McDermott, R. (2005). A Ukrainian Easter Egg Monument Stands for Thirty Years. Renaissance Banff -- Bridges: Mathematical Connections in Art, Music and Science, Banff, Alberta, Canada.

Oku, K., M. Kurose, M. Kubota, S. Fukuda, M. Kurimoto, Y. Tujisaka, A. Okabe, and M. Sakurai (2005). "Combined NMR and Quantum Chemical Studies on the Interaction between Trehalose and Dienes Relevant to the Antioxidant Function of Trehalose." J. Phys. Chem. B. 109: 3032-3040.

Ona, O., Bazterra, V. E., Caputo, M. C., Ferraro, M. B., Facelli, J. C. (2005). "ab Initio Global Optimization of the Structures of Si_n H, n = 4-10, Using Parallel Genetic Algorithms." Phys. Rev. A. 72.

Orendt, A., Haymore, B., Richardson, D., Robb, S., Sanchez Alvarado, A., Facelli, J. C. (2005). "Design, Implementation and Deployment of a Commodity Cluster for Periodic Comparisons of Gene

Sequences." High Performance Computing Paradigm and Infrastruture: 733-744. Paramore, S., G.S. Ayton, and G.A. Voth (2005). "Extending a Spectrin Repeat Unit II. Rupture Behavior."

Biophys. J. 90( 1): 101 - 111. Petersen, M. K., Wang, F., Blake, N.P., Metiu, H., and Voth, G.A. (2005). "Excess Proton Solvation and

Delocalization in a Hydrophilic Pocket of the Proton Conducting Polymer Membrane Nafion." J. Phys. Chem. B 109: 3727-3730.

Pratt, L. M., Le, L. T., Truong, T. N. (2005). "A Computaional Study of Mixed Aggregates of Chloremethyllithium with Lithium Dialkylamides." Journal of Organic Chemistry 70(21): 8298-8302.

Ratkiewicz, A., Truong, T.N. (2005). "Automated mechanism generation: From symbolic calculation to complex chemistry." Internal Journal of Quantum Chemistry 106(1): 244-255.

Reichler, T., Kushner, P.J., and Polvani, L.M. (2005). "The Coupled Stratosphere -Troposphere Response to Impulsive Forcing from the Troposphere." J. of the Atmospheric Sciences 62: 3337 - 3352.

Sawicka, A., Skurski, Piotr, Simons, Jack (2005). "Inverse Potassium Hydride: A Theoretical Study." J. Phys. Chem. A. 109: 922-927.

Sawicka, A., Berdys-Kochanska, J., Skurski, P., and Simons, J. (2005). "Low-Energy (0.1 eV) Electron Attachment S-S Bond Cleavage Assisted by Coulomb Stablization." International Journal of Quantum Chemistry 102: 838-846.

Schuster, G. T. (2005). "Fermat's interferometric principle for target-oriented traveltime tomography." Geophysics 70(4): U47 - U50.

Sefzik, T., Turco, D., Iuliucci, R., Facelli, J. C. (2005). "Modeling NMR Chemical Shift: A Survey of Density Functional Theory Approaches for Calculating Tensor Properties." J. Phys. Chem. A. 109: 1180-1187.

Shi, Q., and Voth, G. A. (2005). "Multi-Scale Modeling of Phase Separation in Mixed Lipid Bilayers." Biophys. J. 89(4): 2385 - 2394.

Sirigaraensre, J., Truong, T. N., Limtrakul, J. (2005). "Density Functional Study of the Mechanism of the Beckmann Rearrangement Catalyzed by H-ZSM-5: A Cluster and Embedded Cluster Study." Journal of Physical Chemistry B 109(24): 12099-12106.

Sobczyk, M., I. Anusiewicz, J. Berdys-Kochanska, A. Sawicka, P. Skurski, and J. Simons (2005). "Coulomb-Assisted Dissociative Electron Attachment: Application to a Model Peptide." J. Phys. Chem. A. 109: 250-258.

Sobczyk, M., Skurski, Piotr, Simons, Jack (2005). "Dissociative Low-Energy Electron Attachment to the C-S Bond of H3CSCH3 Influenced by Coulomb Stailization." Advances in Quantum Chemistry 48: 239-251.

Sun, R., S.K. Krueger, M.A. Jenkins, W. Mell, and J. Charney (2005). "An Evaluation of FDS and Clark Coupled Wildfire Model." Accepted by 6th Symposium on Fire and Meteorology and the 19th Interior West Fire Council Meeting, Conmore, AB, Canada(Accepted by 6th Symposium on fire and meteorology and the 19th Interior west fire council meeting, Conmore, AB, Canada).

Sun, R., Krueger, S., Jenkins, M.A., Mell, W., and Charney, J. (2005). An evaluation of the Fire Dynamics Simulator and the coupled Clark wildfire model using plume observations. 6th Symposium on Fire and Forest Meteorology, Canmore, B.C., Canada.

Tepper, H. L., and G.A. Voth (2005). "A Coarse-Grained Model for Double-Helix Molecules in Solution: Spontaneous Helix Formation and Equilibrium Properties." J. Chem. Phys. 122: 124906.

Tepper, H. l., and Voth, G. A. (2005). "Protons May Leak Through Pure Lipid Bilayers via a Concerted Mechanism." Biophys. J. 88: 3095-3108.

Tiznado, W., Ona, O., Bazterra, V. E., Caputo, M. C., Ferraro, M. B., Facelli, J. C., Fuentealba, P. (2005). "Theoretical Study of the Adsorption of H and Si_n Clusters (n = 3-10)." J. Chem. Phys. 123: 214302.

Treesukol, P. S., K., Limtrakul, J., Truong, T. N. (2005). "Nature of the Metal-Support Interaction in Bifunctional Catalytic Pt/H-ZSM-5 Zeolite." Journal of Physical Chemistry B 109(24): 11940-11945.

Venkatnathan, A., and G.A. Voth (2005). "Superposition State Molecular Dynamics." J. Chem. Theory Comp. 1: 36-40.

Wang, F., and Voth, G. A. (2005). "A Linear-Scaling Self-Consistent Generalization of the Multi-State Empirical Valence Bond Model for Multiple Excess Protons in Aqueous Systems." J. Chem. Phys. 122: 144105(144101-144109).

Wang, Y., Truong, T. N. (2005). "Correlation between electronic structures of metal-intercalated single wall carbon nanotubes with their field emission properties." Journal of Theoretical & Computational Chemistry 4(Special Issue): 657-668.

Wang, Y., S. Izvekov, T. Yan, and G.A. Voth (2005). "Multi-Scale Coarse-Graining of Ionic Liquids." J. Phys. Chem. B. 110( 8): 3564 - 3575.

Wang, Y., and G.A. Voth (2005). "Unique Spatial Heterogeneity in Ionic Liquids." J. Am. Chem. Soc. 127: 12192-12193

Wu, Y., and G.A. Voth (2005). "A Computational Study of the Open and Closed States of the Influenza A M2 Proton Channel." Biophys. J. 89( ): 2402-2411.

Xu, J., and Voth, G. A. (2005). "Computer Simulation of Explicit Proton Translocation in Cytochrome c Oxidase: The D-Pathway." Proc. Nat. Academy of Science 102: 6795-6800.

Ye, S. J., R. M. Moision, and P. B. Armentrout (2005). "Sequential Bond Energies of Water to Sodium Clycine Cation." Int. J. Mass. Spec. 240: 233-248.

Yu, J. a. S., G. T. (2005). "Crosscorrelation migration of inverse vertical seismic profile data." Geophysics 71(1): S1 - S11.

2004 (49) Abbasi, R. U., et al. (2004). "Measurement of the Flux of Ultrahigh Energy Cosmic Rays from Monocular

Observations by the High Resolution Fly's Eye Experiment." Phys. Rev. Lett. 92: 151101. Abbasi, R. U., et. al. (2004). "Monocular Measurement of the Spectrum of UHE Cosmic Rays by the FADC

Detector of the HiRes Experiment." Anusiewicz, I., J. Berdys, M. Sobczyk, P. Skurski, and J. Simons (2004). "Effects of Base Pi-Stacking on

Damage to DNA by Low-Energy Electrons." J. Phys. Chem. A. 108: 11381-11387. Ayton, G. S., and G.A. Voth (2004). "Mesoscopic Lateral Diffusion in Lipid Bilayers." Biophys. J. 87:

3299-3311 Ayton, G. S., and G.A. Voth (2004). "The Simulation of Biomolecular Systems at Multiple Length and Time

Scales." Int. J. for Multiscale Comp. Eng. (IJMCE) (Special Issue: Invited Article) 2: 291-311 Bazterra, V. E., Cuma, M., Ferraro, M. B., Facelli, J. C. (2004). "A general framework to understand

parallel performance in heterogeneous clusters: analysis of a new adaptive parallel genetic algorithm." Journal of Parallel and Distributed Computing 65: 48-57.

Bazterra, V. E., Ona, Ofelia, Caputo, Maria C., Ferraro, Marta B., Fuentealba, Patricio, Facelli, J. C. (2004). "Modified Genetic Algorithms to Model Cluster Structures in Medium-size Silicon Clusters." Phys. Rev. A. 69: 053202.

Berdys, J. A., Iwona, Skurski, Piotr, Simons, J. (2004). "Damage to Model DNA Fragments from Very Low-Energy (<1 eV) Electrons." J. Am. Chem. Soc. 126(20): 6441-6447.

Cheng, W. Y. Y., and W. J. Steenburgh (2004 ). "Evaluation of Surface Sensible Weather Forecasts by the WRF and Eta Models Over the Western

United States." Wea. Forecasting 20: 812-821. Clawson, J., Anderson, K., Pugmire, R., Grant D. (2004). "15N NMR Chemical Shift Tensors of Substituted

Hexaazaioswurtzitanes: The Intermediates in the Synthesis of CL-20." J. Phys. Chem. A. 108: 2638-2644.

Davis, B. L., E.L. Kick, and T.J. Burns (2004). "Change Scores, Composites and Reliability Issues in Cross-National Development Research." International J. of Comparative Sociology 45: 299-314.

Del Popolo, M. G., and Voth, G. A. (2004). "On the structure and dynamics of ionic liquids." Journal of Physical Chemistry B 108: 1744-1752.

Di Fiori, N., Orendt, A.M., Caputo, M.C., Ferraro, M.B., and Facelli, J.C. (2004). "Modeling Solid-state Effects on NMR Chemical Shifts Using Electrostatic Models." Magnetic Resonance in Chemistry 42: 41-47.

Espinal, J., Montaya, A., Mondragon, F., Truong, T.N. (2004). "A DFT Study of Interaction of Carbon

Monoxide with Carbonaceous Materials." J. Phys. Chem. B. 108: 1003-1008. Espinal, J. F., Mondragon, Fanor, Truong, T.N. (2004). "Density Functional Theory Study of Carbon-H2O

Reactions during Gasification with Steam." Am. Chem. Soc. 49: 822. Facelli, J. C. (2004). "Calculations of Chemical Shielding: Theory and Applications." Concepts in Mag. Res.

Part A 20A: 42-69. Freedman, H., Truong, T.H. (2004). "A Coupled Reference Interaction Site Model (RISM)/Molecular

Dynamics (MD) Study of Potential Mean Force of the SN2CI + CH3CI Reaction." J. Phys. Chem. A. 109: 4726-4730.

Freedman, H., Truong, T.N. (2004). "Coupled Reference Interaction Site Model/Simulation Approach for Thermochemistry of Solvation: Theory and Prospects." J. Chem. Phys. 121( ): 2187.

Freedman, H., Nguyen, H, Truong, T.H. (2004). "A Study of the Tautomic Equilibria of 2-hydroxypyridine/2-oxopyridine and of Cystosine in Water Using the Coupled Reference Interaction Site Model (RISM)/Molecular Dynamics (MD) Approach." J. Phys. Chem. B. 108: 19043.

Gregory, E., Cheatham, III T.E., Facelli, J.C. (2004). Data Mining Atomic Motions from Computer Siimulations of Nucleic Acids: A Wavelet Study of the Differential Bending of d[GA_4 T_4 C]_n and d[GT_4 A_4 C]_m. . Currents in Computational Mol. Bio. A. Gramada: 528.

Hart, K., Steenburgh, W. J., Onton, D., Siffert, A. (2004). "An Evaluation of Mesoscale-Model-Based Model Output Statistics (MOS) during the 2002 Olympic and Paralympic Winter Games." Wea. Forecasting 19: 200-218.

Hart, K. A. (2004). An evaluation of high-resolution modeling and statistical forecast techniques over complex terrain. Ph.D. Doctoral dissertation University of Utah.

Hart, K. A., W. J. Steenburgh, and D. J. Onton (2004). "Model Forecast Improvements with Decreased Horizontal Grid Spacing Over Fine-scale Intermountain Orography During the 2002 Olympic Winter Games." Wea. Forecasting 20: 558-576.

Hone, T. D., and Voth, G.A. (2004). "A centroid moelcular dynamics study of liquid para-Hydrogen and ortho-Deuterium." J. Chem. Phys. 121: 6412-6422.

Huang, M. H., Cuma, M., Lagally, M.G., Feng Lui (2004). "Bending of Nanoscale Thin Si Film Induced by Growth of Ge Islands: Hut vs. Dome." MRS Procedding 791(Q6.4): 1-6.

Ilan, B., E. Tajkhorshid, K. Schulten, and G. A. Voth (2004). "The Mechanism of Proton Exclusion in Aquaporin Channels." Proteins: Structure, Function, and Bioinformatics 55: 223-228

Izvekov, S., Parrinello, M., Burnham, C. J., Voth, G. A. (2004). "Effective Force Fields for Condensed Phase Systems From Ab Initio Molecular Dynamics Simulation: A New Method for Force-matching." J. Chem. Phys. 120(23): 10896-10913.

Jenkins, M. A. (2004). "Investigating the Haines Index Using Parcel Model Theory." Int. J. of Wildland Fire 13: 1 - 13.

Jui, C. H., et. al. (2004). "Study of small-scale anisotrphy of ultra-high energy cosmic rays observed in stereo by HiRes." Astrophysics Journal 610: L73-76.

Ka, B. J., Voth, G. A. (2004). "Combining the Semiclassical Initial Value Representation with Centroid Dynamics." J. Phys. Chem B. 108(21): 6883-6892.

Lapid, H., Agmon, N., Petersen, M.K. and Voth, G.A. (2004). "A bond-0rder analysis of the mechanism for hydrated proton mobility in liquid water." Journal of Chemical Physics 122: 1 - 11.

Limtrakul, J., Inntam, Chan, Truong, T.N. (2004). "Density Functional Theory Study of the Ethylene Epoxidation over Ti-substituted Silicalite (TS-1): An Application of Cluster and Embedded Cluster Methods." J. of Molecular Catalysis A: Chemical 207(139).

McWhirter, J. L., Ayton, G.S., and Voth, G.A. (2004). "Coupling Field Theory with Mesoscopic Dynamical Simulations of Multi-component Lipid Bilayers." Biophysical Journal 87.

Nguyen, H. N., Zhang, S., Peeters, J., Truong, T.N., Nguyen, M.T. (2004). "Direct ab initio Dynamics Studies of the Reactions of HNO with H and OH radicals." Chem. Phys. Lett. 388(94).

Ona, O., V. E. Bazterra, M. C. Caputo, M. B. Ferraro, P. Fuentealba, J. C. Facelli (2004). "Modified Genetic Algorithms to Model Atomic Cluster Structures: CuSi Clusters." J. Mol. Struct. 681: 149-155.

Pala, R., Feng Liu (2004). "Determining the Adsorptive and Catalytic Properties of Strained Metal Surfaces using Adsortion-induced Stress." J. Chem. Phys. 120(7720).

Petersen, M. K., S.S. Iyengar, T.J.F. Day, and G.A. Voth (2004). "The Hydrated Proton at the Water Liquid/Vapor Interface." J. Phys. Chem. B. 108: 14804-14806

Rega, N., S. S. Iyengar, G. A. Voth, H. B. Schlegel, T. Vreven, and M. J. Frisch (2004). "Hybrid Ab Initio Empirical Molecular Dynamics: Combining the ONIOM Scheme with the Atom-centered Density Matrix Propagation (ADMP) Approach." J. Phys. Chem. B. 108: 4210 - 4220

Schuster, G. T., J. Yu, J. Sheng, and J. Rickett (2004). "Interferometric/daylight Seismic Imaging." GJI 157: 838-852.

Stokes, B. T., Jui, C.C. H., and Matthews, J.N. (2004). "Using fractal dimensionality in the search for source models of ultra-high energy cosmic rays." Astroparticle Phys. 21: 95.

Strohmeier, M., Grant D. M. (2004). "Experiemental and Theoretical Investigation of the 13C and 15N Chemical Shift Tensors in Melanostatin - Exploring the Chemical Shift Tensor as a Structural Probe." J. Am. Chem Soc. 126: 966-977.

Sun, R., Jenkins, M. A., Krueger, S. K. (2004). "Effects of atmospheric stability, moisture, and wind speed on wildfire behavior and indications of Haines Index. ." Internal Journal of Wildland Fire.

Truong, T. N. (2004). "Computational Science and Engineering Online: An Integrated Web-based Environment for Multi-scale Modeling of Complex Reaction Systems. (Proceedings of the 2nd International Conference on Foundations of Molecular Modeling and Simulations)." Molecular Phys. 102: 353.

Violi, A., A.F. Sarofim, and G.A. Voth (2004). "Kinetic Monte Carlo-Molecular Dynamics Approach To Model Soot Inception." Combust. Sci. and Tech. 176: 991-1005

Violi, A., Truong, T.N., Sarofim, A.F. (2004). "Kinetics of Hydrogen Abstraction Reactions From Polycyclic Aromatic Hydrocarbons by H atoms." J Phys. Chem. A. 108(4846).

Wang, Y., Truong, T.N. (2004). "Theoretical Study of Adsorption of Water Dimer on the Perfect MgO (100) Surface: Molecular Adsorption versus Dissociative Chemisorption." J. Phys. Chem. B. 108: 3289-3294.

Yan, B., Liu, F., Lagally, M.G. (2004). "Local Strain-mediated Chemical Potential Control of Quantum Dot Self-organization in Heteroepitaxy." Phys. Rev. Lett. 92( ): 025502.

Yan, t., Burnham, C. J., Del Popola, M.D., and Voth, G.A. (2004). "Molecular dynamics simulation of ionic liquids: The effect of electronic polarizability." Journal of Physical Chemistry B 108: 11777-11881.

Zang, J., Treibergs, Andrejs, Han, Y., Feng Liu. (2004). "Geometry Constant Defining Shape Transitions of Carbon Nanotubes under Pressure." Phys. Rev. Lett. 92: 105501.

2003 (28) Ahn, E., Hari, P., Whitaker, J., Williams, G.A., Taylor, P.C., and Facelli, J. (2003). "Evidence of indirect

spin -- spin coupling in srystalline and glassy As-chalcogen compounds." Journal of Non-Crystalline Solids 326 & 327: 64 - 67.

Bazterra, V. E., Ferraro, M. B., Facelli, J. C. (2003). "Modified Genetic Algorithm to Model Crystal Structures. III. Determination of Crystal Structures Allowing Simultaneous Molecular Geometry Relaxation." International J. of Quantum Chemistry 96: 312-320.

Blair, S. (2003). "Self-focusing of Narrow 1-D Beams in Photoni Microcavity Arrays." J. of the Optical Society of America B 20: 1520-1526.

Burns, T. J., Kick, E.L., and David, B.L. (2003). "Theorizing and Rethinking Linkages between the Natural Environment and the Modern World-System: Deforestation in the Late 20th Century." Journal of World-Systems Research 9: 357-392.

Cummings, M. P., Handley, S. A., Myers, D. S., Reed, D. L., Rokas, A., Winka, K (2003). "Comparing Bootstrap and Posterior Probability Values in the Four-taxon Case." Systematic Biology 52: 477-487.

Erkoc, S., Leblebicioglu, Kemal, Halici, Ugur (2003). "Application of Genetic Algoritms to Geometry Optimization of Microclusters: A Comparative Study of Empirical Potential Energy Functions for Silicon." Materials and Manufacturing Processing 18: 329-339.

Fogelson, A., and R. Guy (2003). "Platelet-Wall Interactions in Continuum Models of Platelet

Aggregation." Biophys. J. 80( ): 1050-1074. Freedman, H., Truong, T.N. (2003). "A Coupled RISM/MD or MC Simulation Methodology for Solvation

Free Energies." Chem. Phys. Lett. 381: 362. Jenkins, M. A., Krueger, S. K., Sun, R. (2003). Using a Simple Parallel Model to Investigate the Haines

Index. 5th Symposium on Fire and Forest Meteorology, Orlando, FL. Lee, L., and LeVeque, R.J. (2003). "An immersed interface method for incompressible Navier-Stokes

equations." SIAM J Sci. Comp 25: 832-856. Lewis, J. P., Cheatham, T. E., III, Starikov, E.B., Wang, H., Sankey, O.F. (2003). "Dynamically Amorphous

Character of Electronic States in Poly(dA)-Poly(dT) DNA." J. Phys. Chem. B. 107: 2581-2587. Montoya, A., Mondragon, F., Truong, T.N. (2003). "CO2 Adsorption on Carbonaceous Surface: A

Combined Experimental and Theoretical Study." Carbon 41: 29. Myers, D. S., Cummings, M. P. (2003). "Necessity is the Mother of Invention: a Simple Grid Computing

System using Commodity Tools." J. of Parallel and Distributed Computing 63: 578-589. Oklejas, V., and Harris, J. M. (2003). "In-Situ Investigation of Binary Component Self-Assembled

Monolayrs: A SERS-Based Spectroelectrochemical Study of the Effects of Monolayer Composition on Interfacial Structure." Langmuir 19: 5794-5801.

Oklejas, V., Sjostrom, C., and Harris, J. M. (2003). "Surface Enhanced Raman Scattering Based Vibrational Stark Effect as a Spatial Probe of Interfacial Electric Fields in the Diffuse Double Layer." J. Phys. Chem. B. 107: 7788-7794.

Ratkiewicz, A., Truong, T.N. (2003). "Application of Chemical Graph Theory for Automated Mechanism Generation." J. of Chemical Information and Computer Sciences 43: 36.

Schuster, G. T., Katz, L., Followill, F., and Yu, J. (2003). "Autocorrelogram migration theory." Geophysics 68: 1685-1694.

Shapolav, V., Yan Wang, Truong, T.N. (2003). "Theoretical Analysis of the Electronic Spectra of Water Adsorbed on the Rutile TiO2 (110) and MgO (100) Surfaces." Chem. Phys. Lett. 381: 362.

Sheley, D., Crosby, T., Zhou, M., Giacoma, J., Yu, J., He, R., and Schuster, G. (2003). "2-D seismic trenching of colluvial wedges and faults in contributions to Neotectonics and seismic hazard from shallow geophysical imaging." Tectonophysics 368: 51-69.

Sheley, D., and G. Schuster (2003). "Reduced-time Migration of Transmission P-S Waves." Geophysics 68: 1695-1707.

Sheng, J., and Schuster, G.T. (2003). "Finite-frequency resolution limits of wave path traveltime tomography for smoothly varying models." Geophysical J. Int 152: 669-676.

Solum, M. S., Veranth, J. M., Jiang, Y. J., Orendt, A. M., Sarofim, A. F., Pugmire, R J. (2003). "The Study of Anthracene Aerosols by Solid-State NMR and ESR." Energy & Fuels 17(3): 738 - 743.

Sun, H., and G.T. Schuster (2003). "3D wavepath migration." Geophysical Prospecting 51: 421-430. Sun, R. (2003). Effect of low-level atmospheric stablity and moisture on wildfire behavior. Master of

Science, University of Utah. Sun, R., and M.A. Jenkins (2003). Effects of Near-Surface Atmospheric Stability and Moisture on Wildfire

Behavior and Consequences for Haines Index. 5th Symposium on Fire and Meteorology and the 2nd International Wildland Fire Ecology and Fire Management Congress, Orlando, FL.

Whitaker, J., Ahn, E., Hari, P., Williams, G. A., Taylor, P. C., Facelli, J. C. (2003). "Indirect (J) coupling of inequivalent 75As nuclei in crystalline and glassy As2Se3 and As2S3." J. Chem. Phys. 119: 8519-8525.

Zhang, S., Truong, T.N. (2003). "Kinetics of Hydrogen Abstraction Reaction Class H + H-C(sp3): First-Principle Predictions Using the Reaction Class Transition State Theory." J. Phys. Chem. A. 107.

Zhang, S., Nguyen, H.N., Truong, T.N. (2003). "Theoretical study of Mechanism, Thermodynamics and Kinetics of the Decomposition of Gas phase HMX (Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine." J. Phys. Chem. B. 107: 2981.

2002 (28) Anderson, K. L., Merwin, L.H., Wilson, Facelli, J.C. (2002). "15N Chemical Shifts in Energetic Materials:

CP/MAS and ab Initio Studies of Aminonitropyridines, Aminonitropyrimidines, and Their N-Oxides." Int. J. Mol. Sci. 3: 858-872.

Anusiewicz, I. a. P. S. (2002). "An Ab Initio Study on BeX3 Superhalogen Anions (X=F, C1, Br)." Chem.l Phys. Lett. 358: 426-434.

Ayton, G., Voth, G. A. (2002). "Bridging Microscopic and Mesoscopic Simulations of Lipid Bilayers." Biophys J. 83: 3357-3370.

Bazterra, V. E., Ferraro, M. B., Facelli, J. C. (2002). "Modified Genetic Algorithm to Model Crystal Structures. I. Benzene, Naphthalene and Anthracene." J. Chem. Phys. 116: 5984-5991.

Bazterra, V. E., Ferraro, M. B., Facelli, J. C. (2002). "Modified genetic algortithm to model crystal structures. II. Determination of a polymorphic structure of benzene using enthalpy minimization." Journal of Chemical Physics 116: 5992-5995.

Clawson, J. S., Strohmeier, M., Stueber, D., Orendt, A. M., Barich, D. H., Asay, B., Hiskey, M. A., Pugmire, R. J., Grant, D. M. (2002). "15N Chemical shift Tensors of Β-HMX." J Physical Chem A 106(26): 6352 - 6357.

Day, T. J. F., Soudackov, M., Cuma, M., Schmitt, U. W., Voth, G. A. (2002). "A Second Generation Multi-State Empirical Valence Bond Model for Proton Transport in Aqueous Systems." J. Chem. Phys. 117: 5839-5849.

Fogelson, A., H. Yu, A. Kuharsky (2002). "Computational Modeling of Blood Clotting: Coagulation and Three-dimensional Platelet Aggregation. Polymer and Cell Dynamics: Multiscarel Modeling and Numerical Simulations."

Harper, J. K., J.C. Facelli, D.H. Barich, G. McGeorge, A.E. Mulgrew, D.M. Grant (2002). "13C NMR Investigation of Solid-State Polymorphism in 10-Deacetyl Baccatin III." J. Am. Chem. Soc. 124: 10595.

Horel, J., Potter, T., Dunn, L., Steenburgh, W. J., Eubank, M., Splitt, M., Onton, D. J. (2002). "Weather support for the 2002 Winter Olympic and Paralympic Games." Bulletin of American Meteorolgic Society 83: 227-240.

Izvekov, S., Voth, G. A. (2002). "Carr-Parrinello Molecular Dynamics Simulation of Liquid Water: New Results." J. Chem. Phys. 116: 10372-10376.

Jenkins, M. A. (2002). "A Examination of the Sensitivity of Numerically Simulated Wildfires to Low-level Atmospheric Stability and Moisture, and the Consequences for the Haines Index." International Journal of Wildland Fire 11: 213-223.

Jenkins, M. A., Sun, R. (2002). What Coupled Wildfire-atmosphere Numerical Models Can Do. 4th International Workshop on Disturbance Dynamics in Boreal Forest, Prince George, British Columbia.

Lankas, F., T. E. Cheatham, III, P. Hobza, J. Langowski, N. Spackova, and J. Sponer (2002). "Critical Effect of the N2 Amino Group on Structure, Dynamics and Elasticity of DNA Polypurine Tracts." Biophys. J. 82: 2592-2609.

Reil, K. (2002). "The Energy Spectrum of Ultra High Energy Cosmic Rays Measured by the High Resolution Fly's Eye Detectors."

Rienstra, C. M., Kellogg, L. T., Jaroniec, C. P., Hohwy, M., Reif, B., McMahon, M. T., Tidor, B. Perez, T. L., Griffin, R. G. (2002). "De Novo Determination of Peptide Structure with Solid-state Magic-angle Spinning NMR Spectroscopy." PNAS 19: 10260-10265.

Schlegel, H. B., Iyengar, S. S., Li, X., Milliam, J. M., Voth, G. A., Scuseria, G. E., Frisch, M. J. (2002). "Ab Initio Molecular Dynamics: Propagating the Density Matrix with Gaussian Orbitals. III. Comparison with Born Oppenheimer Dynamics." J. Chem. Phys. 117: 8694-8704.

Schultz, D. M., Steenburgh, W. J., Trapp, R.J., Horel, J., Kingsmill, D.E., Dunn, L.B., Rust, W.D., Cheng, L., Bansemer, A., Cox, J., Daugherty, J., Jorgensen, D.P., Meitin, J., Showell, L., Smull, B.F., Karp, K., Trainor, M. (2002). "The Intermountain Precipitation Experiment." Bulletin of American Meteorolgic Society 83: 189-210.

Schuster, G. T. (2002). "Geophysics is Kid's Play." The Leading Edge 24( ): 315-318. Skurski, P., I. Dabkowska, A. Sawicka, J. Rak. (2002). "Dipole-bound and Dispersion-bound Anions

Supported by the Asymmetric Tautomers of Aminophosphine: H3NPH and HNPH3." Chemical Physics 279: 101-111.

Smondyrev, A. M. a. G. A. V. (2002). "Molecular Dynamics Simulation of Proton Transport Near the Surface of a Phospholipid Membrane." Biophysical Journal 82: 1460.

Spackova, N., T. E. Cheatham, III, F. Ryjcek, F. Lankas, L. van Meervelt, P. Hobza and J. Sponer (2002). "Molecular Dynamics Simulations and Thermodynamics Analysis of DNA - Drug Complexes. I. Minor groove binding between 4',6-diamidino-2-phenylindole (DAPI) and DNA duplexes in solution." Journal of American Chemical Society.

Steenburgh, W. J. (2002). "Using Real-time Mesoscale Modeling in Undergraduate Education." Bulletin of American Meteorolgic Society 10: 1147-1451.

Stefl, R., T.E. Cheatham III, N. Spackova, E. Fadrna, I. Berger, J. Koca and J. Sponer (2002). "Formation Pathways of a Guanine-quadruplex DNA revealed by Molecular Dynamics and Thermodynamical Analysis of the Substates." Journal of American Chemical Society.

Stewart, J., Whiteman, D., Steenburgh, W. J., Bian, X. (2002). "A Climatological Study of Thermally Driven Wind Systems of the U.S. Intermountain West." Bulletin of American Meteorological Society 83: 699-708.

Stueber, D., Orendt, A. M., Facelli, J. C., Parry, R. W., Grant, D. M. (2002). "Carbonates, Thiocarbonates, and the Corresponding Monoalkyl Derivatives: III. The 13C Chemical Shift Tensors in Potassium Carbonate, Bicarbonate and Related Monomethyl Derivatives." Solid State Nuclear Magnetic Resonance 22: 29 - 49.

Violi, A., Kubota, A., Truong, T., Pitz, W., Westbrook, C., Sarfofim, A. (2002). A Fully-Integrated Kinetci Monte Carlo / Molecular Dynamics Approach for the Simluation of Soot Precursor Growth. Proceedings of the 29th International Symposium on Combustion Sapporo, Japan.

Violi, A., A. Sarofim, T. Truong (2002). Mechanistic Pathways to Explain H/C Ratio of Soot Precursos. Second Mediterranean Combustion Symposium. Sharm el Sheik, Egypt.

2001 (32) Archbold., G. (2001). "A Fiber-optic Based Calibration Systems for the HiRes Experiment." Proceedings of

ICRC 1. Bellido, J., Belz, J., Dawson, B., Schindel, M., Stokes, B. (2001). "Anisotropy Studies of Ultra-High Energy

Cosmic Rays as Observed by the High Resolution Fly's Eye (HiRes)." Proceedings of ICRC 1. Bergman, D. R. (2001). "A Monocular Spectrum Analysis Using FADC Timing at HiRes." Proceedings of

ICRC 2001 1. Bergman, D. R., (2001). "Determining the Alignment of HiRes Optics Using a CCD Camera." Proceedings

of ICRC 1. Cao, Z. (2001). "A Measurement of the Average Longitudinal Development Profile of Cosmic Ray Air

Showers Between from 1017 eV and 1018.3 eV." Proceedings of ICRC 2001 1. Cao, Z. (2001). "Measurement of the Cosmic Ray Energy Spectrum from 1017 to 1018.3 eV Using a Hybrid

Technique." Proceedings of ICRC 2001 1. Cao, Z. (2001). "Monte Carlo Simluation of the HiRes Experiment." Proceedings of ICRC 1. Cheatham, I., T. E., Young, M. A. (2001). "Molecular Dynamics Simulations of Nucleic Acids: Successes,

limitations and promise." Biopolymers 56: 232-256. Clay, R. W., B.R. Dawson, R.T. Pace, D.S. Riordan, A.G.K. Smith, N.R. Wild. (2001). "Cloud Detection at

the High Resolution Fly's Eye." Proceedings of ICRC 1. Facelli, J. C., Nakagawa, B. K., Orendt, A. M., Pugmire, R. J. (2001). "Cluster analysis of 13C Chemical

Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons." J Physical Chem A 105(31): 7468 - 7472.

Izvekov, S., and G. A. Voth (2001). "Ab Initio Molecular Dynamics Simulation of the Ag(111)-Water Interface." J. Chem. Phys. 115: 15.

Jones, B. F., Matthews, J. N., Moore, S.A., Thomas, S. (2001). "Calibration and Stability of the High Resolution Fly's Eye Detector." Proceedings of ICRC 2001 1.

Jui, C. H. (2001). "Measurement of the Ultrahigh Energy Cosmic Ray Spectrum Using Monocular Data From the High-Resolution Fly's Eye Experiment." Proceedings of ICRC 1.

Kerber, R., Boucher, K. (2001). "Pseudolikelihood Estimation of Genetic Parameters for Arbitrarily

Complex Pedigrees." Poster presented at the Tenth Conference of the International Genetic Epidemiology Society, Garmisch, Germany.

Kick, E. L., Davis, B.L., and Parker, C.R. (2001). "Macrosocial Causes of Suicide and Homicide: A Research-In-Progress Report." International Journal of Comparative Criminology 1: 120-126.

Kick, E. L., and Davis, B.L. (2001). "World-System Structure and Change: An Analysis of Global Networks and Economic Growth Across Two Time Periods." American Behavioral Scientist 44: 1561-1578.

Kuharsky, A., and A. Fogelson (2001). "Surface-mediated Control of Blood Coagulation: The Role of Binding Site Densities and Platelet Deposition." Biophys. J. 80: 1050-1074.

Lefohn, A. E., Ovchinnikov, M., Voth, G. A. (2001). "A Multistate Empirical Valence Bond Approach to Polarizable and Flexible Water Model." J. Phys. Chem B. 105: 6628.

Mathews, J. N. (2001). "Description of the High Resolution Fly's Eye Detector." Proceedings of ICRC 1. Menashe, D., Bihma, O., Laikhtman, B. D. (2001). "Thermodynamic Fluctuations of Site Energies and

Occupation Numbers in the Two-dimensional Coulomb Glass." Physical Review B. 64: 115209. Morrison, P. a. L. W. (2001). "Measuring Air Shower Speeds with the HiRes Fluorescence Detectors."

Proceedings of ICRC 1. Reil, K. A., R. W. Springer. (2001). "Preliminary Stereo Results from the High Resolution Fly's Eye Cosmic

Ray Observatory." Proceedings of ICRC 1. Roberts, M. D. (2001). "Atmospheric Analysis Techniques at HiRes." Proceedings of ICRC 1. Roberts, M. D. (2001). "Atmospheric Monitoring at HiRes - Hardware Systems 1." Proceedings of ICRC 1. Schmitt, U. W., and G. A. Voth. (2001). "The Isotope Substitution Effect on the Hydrated Proton." Chem.

Phys. Lett. 329: 36. Smith, J. D., S.B. Thomas, L.R. Wiencke (2001). "Absolute GPS Time Event Generation and Capture for

Remote Locations." Proceedings of ICRC 1. Song, C. (2001). "Study of the Longitudinal Development of Air Showers with CORSIKA." Proceedings of

ICRC 1. Strohmeier, M., Orendt, A. M., Alderman, D. W., Grant, D. M. (2001). "Investigatioin of the Polymorphs of

dimethyl-3, 6-Dichloro-2, 5-Dihydroxyterephthalate by 13C Solid-State NMR Spectroscopy." J American Chem Society 123(8): 1713 - 1722.

Violi, A., Truong, T., D'Anna, A. D'Alessio, A., Sarofim, A. (2001). "Quantum Mechanic Study of High Molecular Mass Compounds in Combustion Conditions." Proceedings of the 2nd Joint Meeting of the US Sections of the Combustion Institute. Oakland, CA.

Wiencke, L. R. (2001). "Atmospheric Monitoring at HiRes - Hardware Systems 2." Proceedings of ICRC 1. Wiencke, L. R. (2001). "Atmospheric Monitoring at HiRes - The Atmosphere at Dugway." Proceedings of

ICRC 1. Zech, A. (2001). "Comparisons of CORSIKA-generated Showers with HiRes Data." Proceedings of ICRC 1. 2000 (19) Amicangelo, J., Armentrout, P. (2000). "Absolute Binding Energies of Alkali-Metal Cation Complexes with

Benzene Determined by Threshold Collision-Induced Dissociation Experiements and ab Initio Theory." J. Phys. Chem. B. 104: 11420-11432.

Barich, D. H., Orendt, A. M., Pugmire, R. J., Grant, D. M. (2000). "Carbon-13 Chemical-Shift Tensors in Polycyclic Aromatic Compounds. 9. Biphenylene." J Physical Chem A 104(35): 8290 - 8295.

Cuma, M., U. W. Schmitt and G. A. Voth. (2000). "The Multi-Scale Empirical Valence Bond Model for Acid-Base Chemistry in Aqueous Solution." Chem. Phys. Lett. 258: 187.

Davis, B. L., and E.L. Kick (2000). Human Capital Issues and Information Technology in Education in the New Millennium. Social Dimensions of Information Technology: Issues for the New Millennium. G. D. Garson. Hershey, PA, Idea Group Publishing.

Facelli, J. C. (2000). "Nitrogen-15 chemical shift in the pyridine-methanol complex." Chem. Phys. Lett. 322: 91-96.

Fogelson, A., and J. Keener (2000). "Immersed Interface Methods for Neumann and Related Problems." SIAM J. Sci Comput. 22: 1630-1654.

Green, R. J., Qian, Jun, Kim, Ho-Tae, Anderson, Scott L. (2000). "Hydride Abstraction by NO+ from

Ethanol: Effects of Collision Energy and Ion Rotation State." J. Chem. Phys. 113: 3002. Gutowski, M., Skurski, P., Li, X., Wang, L.S. (2000). " (MgO) n (n = 1-5) Clusters: Multipole-Bound

Anions and Photodetachment Spectroscopy." Phys. Rev. Lett. 85: 3145. Kick, E., Davis, B.L., Lehtinen, M., Wang, L. (2000). "Family and Ecnomic Growth: A World-System

Approach and a Cross-National Analysis." International Journal of Comparative Sociology 41: 225-244.

Kick, E. L., Davis, B.L., Lehtinen, M., and Burns, T.J. (2000). "A Cross-National Analysis of Democracy, Political Instability, and National Development Outcomes." Journal for Political and Military Sociology 28: 131-155.

Koizumi, H., . Zhang, Armentrout, P. (2000). "Collision-Induced Dissociation and Theoretcial Studies of Cu+-Dimethyl Ether Complexes." J. Phys. Chem. A. 105: 2444-2452.

Mass, C. F., Steenburgh, W. J. (2000). "An Observational and Numerical Study of an Orographically Trapped Wind Reversal Along the West Coast of the U. S." Mon. Wea. Rev. 129: 1318-1338.

Montoya, A., Truong, T, Sarofim, A. (2000). "Spin Contamination in Hartree-Fock and Density Functional Theory Wavefuntions in Modeling of Adsorption on Graphite." J. Phys. Chem. A. 104: 6108-6110.

Orendt, A. M., Facelli, J. C., Bai, S., Rai, A., Gossett, M., Scott, L. T., Boerio-Goates, J., Pugmire, R. J., Grant, D. M. (2000). "Carbon-13 Shift Tensors in Polycyclic Aromatic Compounds. 8. A Low-Temperature NMR Study of Coronene and Corannulene." J Physical Chem A 104(1): 149 - 155.

Pernice, M. (2000). "A Hybrid Multigrid Method for the Steady-State Incompressible Navier-Stokes Equations." Electronic Transactions on Numerical Analysis 10: 74.

Skurski, P., and M. Gutowski. (2000). "Excited Electronic States of Anion of 7,7,8,8-tetracyanoquinodimethane (TCNQ)." J. of Molecular Structure 531: 339.

Truong, T., Maity, D. K. (2000). "A Combined Reaction Class Approach with Integrated Molecular Orbital+Molecular Orbital (IMOMO) Methodology: A practical tool for Kinetic modeling." J. Chem. Phys. 112: 24-30.

Wang, Y. (2000). Modeling and Imaging by a New Adaptive Grid Finite-Difference Method. Ph.D., University of Utah.

Weiss, J. A., R.D. Rabbitt and B.N. Maker (2000). "Use of Image Data to Regularize Ill-Posed Problems in Solid Mechanics." International Journal for Numerical Methods in Engineering.

1999 (31) Bell, R., Simons, J. (1999). "Unusual Thresholds and Isotope Effects in AI+ + H2/D2/HD Reactions." J.

Phys. Chem. A. 103: 539. Bowden, A. E., Rabbit, R., Weiss, J. (1999). "Stress and Strain in the Human Distal Phalanx Under

Indentation." Proc. 21st Annual EMBS Conference (1st joint with BMES): 512. Calhoun, A., Voth, G.A. (1999). "Electrochemical Bond-Breaking Reactions: A Comparison of Large Scale

Simulation Results with Analytical Theory." J. Phys. Chem. B. 103: 3442. Calhoun, A., Koper, T. M., Voth, G. A. (1999). "Large-Scale Computer Simulation of an Electrochemical

Bond-Breaking Reaction." Chem. Phys. Lett. 305: 94. Eskicioglu, M. R., Marsland, T., Hu, W., Shi, W. (1999). "Evaluation of the JIAJIA Software DSM System

on High Performance Computer Architectures." IEEE Transactions on Antennas and Propagation 76.

Gutowski, M., Skurski, P. (1999). "Electron Binding Energies in Linear Bipole-Bound (HCN)n - (n=2-5)." Chem. Phys. Lett. 300: 331.

Gutowski, M., Skurski, P. (1999). "Electronic Structure of Dipole-bound Anions." Res. Devel. Physical Chem. 3: 245-260.

Gutowski, M. (1999). "Favorable Performance of the DFT Methods in Predicting the Minimum-Energy Structure of the Lowest Triplet State of WF4." International Journal of Quantum Chemistry 73: 369.

Gutowski, M., and P. Skurski. (1999). "Theoretical Study of the Dipole-Bound Anion (HF)." Res. Devel. Physical Chem. 3: 245.

Gutowski, M., Skurski, P. (1999). "Theoretical Study of the Quadrupole-Bound Anion (BeO)-." Chem. Phys. Lett. 303: 65.

Jang, S., Y. Pak and G. A. Voth. (1999). "Quantum Dynamical Simulation of the Energy Relaxation Rate of the CN- Ion in Water." J. Phys. Chem. A. 103: 10289.

Jang, S., S. Jang, and G. A. Voth. (1999). "Quantum Molecular Dynamics Simulations of Low Temperature High Energy Density Matter: Solid p-H2/Li and p-H2/B." J. Phys. Chem. A. 103: 9512.

Johnson, M. A., T. N. Truong. (1999). "High-Level ab Initio and Density Functional Theory Evaluation of Combustion Reaction Energetics: NO2 and HONO Elimination from Dimethylnitramine." J. Phys. Chem. A. 103: 8840-8846.

Johnson, M. A., Truong, T. N. (1999). "Importance of Polarization in Simluations of Condensed Phase Energetic Materials." J. Phys. Chem B. 102: 9392-9393.

Maity, D., Bell, R., Truong, T. (1999). "Mechanism and Quantum Mechanical Tunneling Effects on Inner Hydrogen Atom Transfer in Free Base Porphyrin: A Direct ab Initio Dynamics Study." J. Am. Chem. Soc. 63: 861.

Maity, D. K., W. T. Duncan, T. N. Truong. (1999). "Direct Ab Initio Dynamics Studies of the Hydrogen Abstraction Reactions of Hydrogen Atom with Fluoromethanes." J. Phys. Chem. A. 103: 2152-2159.

Morey, D., Schuster, G. (1999). "Paleoseismicity of the Oquirrh Fault, Utah from Shallow Seismic Tomography." GJI 138: 25.

Orendt, A. M., Facelli, J. C., Grant, D. M. (1999). "A theoretical study of the acetate 13C chemical shift tensor in cadmium acetate dihydrate." Chemical Physics Letters 302: 499 - 504.

Pak, Y., Voth, G. A. (1999). "Reactive Flux Calculations of Methyl Vinyl Ketone Reacting with Cyclopentadiene in Water." J. Phys. Chem. A. 103: 925.

Pavese, M., Berard, D. R., Voth, G. A. (1999). "Ab initio Centroid Molecular Dynamics: A Fully Quantum Method for Condensed Phase Dynamics Simulations." Chem. Phys. Lett. 300: 93.

Pernice, M., Bockelie, J., Swensen, D., Smith, P. (1999). "Progress, Results, and Experiences in Developing an Adaptive Solver for Steady State Turbulent Reacting Flows in Industrial Boilers and Furnaces, Structured Adaptive Mesh Refinement (SAMR) Grid Methods." IMA Volumes in Mathematics and its Applications 117.

Rabbitt, R. D. (1999). "Directional Coding of Three Dimensional Movements by Vestibular Semicircular Canals." Biological Cybernetics 80: 417.

Skurski, P., Gutowski, M. (1999). "Ab Initio Study of the Dipole-Bound Anion (H2O…HC1)." J. Chem. Phys. 111: 3004.

Skurski, P., M. Gutowski and J. Simons. (1999). "Dipole-Bound Anion of the HNNH3 Isomer of Hydrazine. An Ab Initio Study." J. Phys. Chem. A. 103: 625.

Skurski, P., Gutowski, M., Simons, J. (1999). "Theoretical Study of the Dipole-Bound Anion (HPPH3)." J. Chem. Phys. A. 100: 274.

Tinniswood, A., Lazzi, G., Gandhi, O.P. (1999). "The Use of the Expanding Grid FDTD Method for Simulation of CAD-derived Personal Wireless Telephones." Technical Report, University of Utah.

Truong, T. N., Truong, T. T. (1999). "A Reaction Class Approach with the Integrated Molecular Orbital + Molecular Orbital Methodology." Chem. Phys. Lett. 314: 529.

Truong, T. N. (1999). "Thermal Rates of Hydrogen Exchange of Methane with Zeolite: A Direct ab Initio Dynamics Study on the Importance of Quantum Tunneling Effects." J Phys. Chem. B. 101: 2750.

Vollmer, J. M., Srefanovich, E., Truong, T. (1999). "Molecular Modeling of Interactions in Zeolites: An Ab Initio Embedded Cluster Study of Nh3 Adsorption in Chabazite." J. Phys. Chem. B. 103: 9415.

Wang, L. L., Boldyrev, A. I., Simons, J. (1999). "Tetracoordinated Planar Carbon in the Al4C- Anion. A Combined Photoelectron Spectroscopy and ab Initio Study X." J. Phys. Chem. A. 103: 503.

Yu, H. (1999). Three Dimensional Computational Modeling of Platelet Aggregation on Parallel Computers. Ph.D., University of Utah.

1998 (27)

Bowden, A. E., Rabbitt, R. D., Weiss, J. A. (1998). "Anatomical Registration and Segmentation by Warping Template Finite Element Models." SPIE 3254: 469.

Calhoun, A., Voth, G.A. (1998). "The Computer Simulation of Correlated Electron Transfer Across the Electrode/Electrolyte Interface Involving Multiple Redox Species." J. Phys. Chem. B. 109: 4569.

Calhoun, A., and G. A. Voth. (1998). "Computer Simulation of Electron Transfer Processes across the Electrode/Electrolyte Interface: A Treatment of Solvent and Electrode Polarizability." J. Electroanalytical Chemistry 405: 253.

Calhoun, A., Voth, G.A. (1998). "Isotope Effects in Electron Transfer Across the Electrode-Electrolyte Interface: A Measure of Solvent Mode Quantization." J. Phys. Chem. B. 102: 8563.

Eskicioglu, M. R., and T. Marsland (1998). "Evaluation of JIAJIA Software DSM System on High Performance Architecture." Proceedings of the 32nd Hawaii International Conference on System Sciences and the Proceedings of the 1998 IBM Center for Advanced Studies Conference.

Eskicioglu, M. R., Marsland, T. (1998). "Shared Memory Computing on SP2: JIAJIA Approach." IBM Center for Advanced Studies Conference (CASCON'98).

Fogelson, A., and A. Kuharsky (1998). "Membrane Binding-site Density Can Modulate Activation Thresholds in Enzyme Systems." J. Theor. Biol. 193: 1-18.

Gardiner, J., Weiss, J. (1998). "Experimental Testing and Computational Modeling to Determine the Stress-Strain Distribution in the Human Medical Collateral Ligament." 44th Annual Meeting, Orthopedic Research Society.

Grunbaum, D., D. Eyre, and A. Fogelson (1998). "Functional geometry of ciliated tentacular arrays in active suspension feeders." J. Exp. Biol. 201: 2575-2589.

Keener, J. P., Bogar, K. (1998). "A Numerical Method for the Solution of the Bidomain Equations in Cardiac Tissue." CHAOS 8: 234.

Kick, E. L., Davis, B.L., Kiefer, D., and Burns, T.J. (1998). "A Cross-National Analysis of Militarization and Well-Being Relationships in Developing Countries." Social Science Research 27: 351-370.

Maity, D., W. Duncan and T. Truong (1998). "Direct ab Initio Dynamics Studies of the Hydrogen Abstraction Reactions of Hydrogen Atom with Fluormethanes." Journal of Physical Chemistry A 103: 3152.

Michael, J., Barton, R., Saffle, J., Mone, M., Markewitz, B., Hillier, K., Elstad, M., Campbell, E., Troyer, B., Whatley, R., Liou, T., Samuelson, W., Carveth, H., Hinson, D., Morris, S., Davis, B. L., and Day, R. (1998). "Inhaled Nitric Oxide Versus Conventional Therapy: Effects on Oxygenation in ARDS." American Journal of Respiratory Critical Care Medicine 157: 1372-1380.

Newren, E. (1998). Multilevel Distributed-Memory Solutions of Poisson's Equation. Masters of Science, University of Utah.

Nowaryta, J. P. (1998). Theoretical Study of Inhomogeneous Fluids. Doctoral dissertation, University of Utah.

Orendt, A. M., Facelli, J. C., Jiang, Y. J., Grant, D. M. (1998). "NMR at Cryogenic Temperatures: A 13C NMR Study of Ferrocene." J Physical Chem A 102(39): 7692 - 7697.

Pernice, M., C. Johnson, P. Smith, and A. Fogelson. (1998). "Final Report: Symposium on Adaptive Methods for Partial Differential Equations."

Pernice M., W., H. (1998). "NITSOL A Newtown Iterative Solver for Nonlinear Systems." Society of Industrial and Applied Mathematics 19: 302.

Skurski, P., and M. Gutowki (1998). "Theoretical Study of the Dipole-Bound Anion (H2O...NH3)." Journal of Chemical Physics 108: 6303.

Taccardi, B. a. S. V. (1998). "Multiple Components in the Unipolar Electrogram: A Simulation Study in a Three-Dimensional Model of Ventricular Myocardium." Journal of Cardiovascular Electrophysiology 9: 1062.

Tinniswood, A., Gandhi, O. P. (1998). "Head and Neck Resonance in a Rhesus Monkey - A Comparison with Results from a Human Model." Technical Report, University of Utah.

Tinniswood, A. D., Furse, C. M., Gandhi, O. P. (1998). "Computations of SAR Distributions for Two Anatomically Based Models of the Human Head Using CAD Files of Commercial Telephones and the Paralleled FDTD Code." IEEE Transactions on Antennas and Propagation 46: 829.

Tinniswood, A. D., Furse, C.M., Gandhi, O.P. (1998). "Power Deposition in the Head and Neck of an

Anatomically Based Human Body Model for Plane Wave Exposures." Phys. Med. Biol. 43: 2361. Truong, T., Duncan, W., Tirtowidjojo, M. (1998). "A Reaction Class Approach for Modeling Gas Phase

Reaction Rates." Faraday Transactions 1: 1061. Weiss, J., P. Moulis, H. Ayliffe, T. Rosenberg and V. Cooley. (1998). "Finite Element Simulation of

Stresses in Healing Cartilage Defects." ASME Winter Annual Meeting. Weiss, J., Rabbitt, R., Bowden, A., Maker, B. (1998). "Incorporation of Medical Image in Data in Finite

Element Models to Track Strain in Soft Tissues." SPIE 3254: 277. Weiss, J. A. (1998). "Stresses in the Human Medial Collateral Ligament During Valgus Loading." 5th

Japan-USA-Singapore-China Conference on Biomechanics. 1997 (28) Abu-Zayyad, T., et al (1997). "Atmospheric Monitoring at the High Resolution Fly's Eye: Data from the

HiRes2 Flasher Array." Presented at the 25th ICRC, Durban, South Africa. Abu-Zayyad, T., et al (1997). "Calibration and Stability Measurements of a FADC Based Data Acquisition

System for the HiRes Fly's Eye Experiement." Presented at the 25th ICRC, Durban, South Africa. Abu-Zayyad, T., et al (1997). "The Capabilities of the High Resolution Fly's Eye Detector." Presented at

the 25th ICRC, Durban, South Africa. Abu-Zayyad, T., et al (1997). "Cosmic Ray Composition Measured by HiRes in Coincidence with FE2."

Presented at the 25th ICRC, Durban, South Africa. Abu-Zayyad, T., et al (1997). "The HiRes Detector: Absolute Calibration and Alignment." Presented at the

25th ICRC, Durban, South Africa. Abu-Zayyad, T., et al (1997). "A Monte Carlo Study of Reconstruction of Monocular Events Having Limited

Track Lengths for the High Resolution Fly's Eye." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T., et al (1997). "Multi-Component Observations of 1017 eV East with a Hybrid Fluorescence and Surface Detector." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T., et al (1997). "Physics with HiRes Stage 0.5 and Stage 2." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T., et al (1997). "Radio Controlled Light sources ofr Atmospheric Monitoring at HiRED. Nuclear Instruments and Methods." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T., et al (1997). "Radio Controlled Zenon Flashers for Atmospheric Monitoring at the HiRes Cosmic Ray Observatory." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T., et al (1997). Status of the High Resolution Fly's Eye Detector: Operation and Installation. 25th ICRC. Durban, South Africa.

Abu-Zayyad, T., et al (1997). "Stereo Reconstruction of Eas With the HiRes Detector." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T., et al (1997). "Testing the High Resolution Fly's Eye Using Laserscope." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T., et al (1997). "Trigger Sensitivity of the FADC Instrumented HiRes Fly's Eye." Presented at the 25th ICRC, Durban, South Africa.

Abu-Zayyad, T. e. a. (1997). "Atmospheric Monitoring at the High Resolution Fly's Eye: Atmospheric Scattering." Presented at the 25th ICRC, Durban, South Africa.

Bowden, A. E., R. D. Rabbitt, J. A. Weiss and B. N. Maker. (1997). "Use of Medical Image Data to Compute Strain Fields in Biological Tissue." ASME BED 34: 191.

Burns, T. J., Davis, B. L., and Kick, E. L. (1997). "Position in the World-System and National Emissions of Greenhouse Gases." Journal of World-Systems Research 3: 432-466.

Dai, H. Y., Loh, E. C., Sokolsky, P. (1997). "The OWL Detector: Simulation and Reconstruction." Internal Report, University of Utah-UUHEP 97: 4.

Dai, Y., Loh, E. C., Sokolsky, P. (1997). "The OWL Detector: Neutrino Aperture, Detector Spacing and Track Reconstruction." Internal Report, University of Utah, UUHEP 97: 5.

Fain, H., Kick, E.L., Davis, B.L. and Burns, T.J. (1997). "World-System Position, Tropical Climate, National Development and Infant Mortality: A Cross-National Analysis of 86 Countries." Human Ecological

Review 3(2): 197-202. Gardiner, J. C., and J. A. Weiss. (1997). "Representation of Anisotropy in constitutive Models of Biological

Soft Tissues." J. of Biomech. Eng. 120: 233. Liu, F., Orendt, A. M., Alderman, D. W., Grant, D. M. (1997). "Carbon-13 Chemical Shift Tensors in

Pentaerythritol." J American Chem Society 119(38): 8981 - 8984. Orendt, A., Hu, J., Jiang, Y., Facelli, J.C., Wang, W, Pugmire, R. Ye, C., Grant, D. M. (1997). "Solid State

15N and 13C NMR Study of Several Metal 5,10,15,20-Tetraphyenylporphyrin Complexes, Journal of the American Chemical Society." J. Phys. Chem. A. 119: 7114.

Puso, M., Weiss, J. (1997). "Finite Element Implementation of Anisotropic Quasilinear Viscoelasticity Using a Discrete Spectrum Approximation." ASME J. of Biomechanical Engineering 33: 347.

Sellers, B. J., Davis, B. L., Larkin, P. W., Morris, S. E., and Saffle, J. R. (1997). "Early Prediction of Prolonged Ventilator Dependence in Thermally Injured Patients." Journal of Trauma 43(6): 899-903.

Strohmeier, M., Orendt, A. M., Facelli, J. C., solum, M. S., Pugmire, R. J., Parry, R. W., Grant, D. M. (1997). "Solid State 15N and 13C NMR Study of Several Metal 5, 10, 15, 20-Tetraphenylporphyrin Complexes." J American Chem Society 119(30): 7114 - 7120.

Truong, T. (1997). "Thermal Rates of Hydrogen Exchange of Methane with Ziolite: A Direct ab Initio Dynamics Study on the Importance of Quantum Tunneling Effects." J. Phys. Chem. B. 101.

Weiss, J. A., Gardiner, J.C., Quapp, M. (1997). "Material Models for the Study of Soft Tissue Mechanics." ASME BED 249.

1996 (8) Davis, B. L., and E.L. Kick (1996). "Human Capital Issues in the Use of Information Technology in

Education." Social Science Computer Review 14: 169-180. Dillon, R., L. Fauci, A. Fogelson, and D. Gaver (1996). "Modeling Biofilm Processes Using the Immersed

Boundary Method." J. Sci. Comput. 129: 57-73. Facelli, J. C., Orendt, A. M., Jiang, Y. J., Pugmire, R. J., Grant, D. M. (1996). "Carbon-13 Chemical Shift

Tensors and Molecular conformation of Anisole." J. Phys Chem 100(20): 8268 - 8272. Kick, E. L., Burns, T. J., Davis, B. L., Murray, D. A., and Murray, D. (1996). "Impacts of Domestic

Population Dynamics and Foreign Wood Trade on Deforestation: A World-System Perspective." Journal of Developing Societies 12(1): 68-87.

Kick, E. L., Davis, B. L., Burns, T. J., and Li, L. (1996). "World System and National Institutional Effects on Infant Mortality in Third World Countries." International Third World Studies Journal and Review 7: 61-67.

Orendt, A., Facelli, J. C., Radziszewski, J. G., Horton, W. J., Grant, D. M., Michl, J. (1996). "C dipolar NMR Spectrum of Matrix-Isolated 0-Benzyne-1, 2-13 C2." Am Chem Society 118: 846 - 852.

Weiss, J. A., B. N. Maker and S. Govindjee (1996). "Finite Element Implementation of Incompressible, Transversely Isotropic Hyperelasticity." Computer Methods In Applied Mechanics and Engineering 135: 107.

Weiss, J. A., D. A. Schauer and J. C. Gardiner (1996). "Modeling Contact in Biological Joints Using Penalty and Augmented Lagrangian Methods." Advances in Bioengineering ASME 34: 347.

1995 (3) Kick, E. L., Davis, B. L., and Burns, T. J. (1995). "International Multiple Networks in World-System

Approaches." International Conference on Social Networks 3: 237-248. Saffle, J. R., Davis, B. L., and Williams, P. (1995). "Recent Outcomes in the Treatment of Burn Injury in

the United States: A Report from the American Burn Association Patient Registry." Journal of Burn Care & Rehabilitation 16: 219-232.

Saffle, J. R., and Davis, B. L. (1995). "A Simple Guide to the Burn Registry." Burns: Journal of the International Society for Burn Injuries 21: 230-236.

1994 (2) Burgess, Y., Davis, B. L., and Kick, E. L. (1994). "Militarization and Well-Being: An Analysis of Third World

Women and Men." International Third World Studies Journal and Review 5: 9-23. Davis, B. L. (1994). Economic and Human Development Assessment by Cross National Comparison:

Methodological Obstacles to Empirical Verification of Prevailing Theories. Ph.D., University of Utah.

1993 (3) Fauci, L., and Fogelson, A. (1993). "Truncated Newton Methods and the Modelling of Complex Immersed

Elastic Structures." Pure Applied Math 46: 787-818. Saffle, J. R., Davis, B. L., Kagan, R., et. al. (1993). "Development of a Computerized Registry for the

Patient With Burns: Part I." Journal of Burn Care & Rehabilitation 14: 199-206. Saffle, J. R., Davis, B. L., Kagan, R., et. al. (1993). "Development of a Computerized Registry for the

Patient With Burns: Part II." Journal of Burn Care & Rehabilitation 14: 368-375. 1992 (1) Fogelson, A. (1992). "Continuum Models of Platelet Aggregation: Formulation and Mechanical Properties."

SIAM JAM 52: 1089-1110.