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Citadel
Citadel
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Replacing Nauticast AIS to Comnav Voyager X3 AIS
Replacing Nauticast AIS to Comnav Voyager X3 AIS
108 views
The aromatic pathways of porphins, chlorins and bacteriochlorins
The aromatic pathways of porphins, chlorins and bacteriochlorins
215 views
Aromatic pathways in thieno-bridged porphyrins: understanding the influence of the direction of the thiophene ring on the aromatic character
Aromatic pathways in thieno-bridged porphyrins: understanding the influence of the direction of the thiophene ring on the aromatic character
217 views
Computational Studies of the Metal-Binding Site of the Wild-Type and the H46R Mutant of the Copper, Zinc Superoxide Dismutase
Computational Studies of the Metal-Binding Site of the Wild-Type and the H46R Mutant of the Copper, Zinc Superoxide Dismutase
212 views
Ab initio determination of the induced ring current in aromatic molecules
Ab initio determination of the induced ring current in aromatic molecules
212 views
Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory
Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory
213 views
Insights into Magnetically Induced Current Pathways and Optical Properties of Isophlorins
Insights into Magnetically Induced Current Pathways and Optical Properties of Isophlorins
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C72: gaudiene, a hollow and aromatic all-carbon molecule
C72: gaudiene, a hollow and aromatic all-carbon molecule
213 views
Stairway to the Conical Intersection:  A Computational Study of the Retinal Isomerization
Stairway to the Conical Intersection:  A Computational Study of the Retinal Isomerization
214 views
Coupled-cluster calculations of spin-rotation constants
Coupled-cluster calculations of spin-rotation constants
215 views
A density-functional-theory study of bacteriochlorophyll b
A density-functional-theory study of bacteriochlorophyll b
213 views
An efficient algorithm to calculate three-electron integrals for Gaussian-type orbitals using numerical integration
An efficient algorithm to calculate three-electron integrals for Gaussian-type orbitals using numerical integration
212 views
The role of solvent exclusion in the interaction between D124 and the metal site in SOD1: implications for ALS
The role of solvent exclusion in the interaction between D124 and the metal site in SOD1: implications for ALS
214 views
Spin and charge distribution in iron porphyrin models: A coupled cluster and density-functional study
Spin and charge distribution in iron porphyrin models: A coupled cluster and density-functional study
212 views
Coupled-cluster and density functional theory studies of the electronic 0–0 transitions of the DNA bases
Coupled-cluster and density functional theory studies of the electronic 0–0 transitions of the DNA bases
212 views
The aromatic character of thienopyrrole-modified 20π-electron porphyrinoids
The aromatic character of thienopyrrole-modified 20π-electron porphyrinoids
213 views
Magnetic-Shielding Calculations on Al 42- and Analogues. A New Family of Aromatic Molecules?
Magnetic-Shielding Calculations on Al 42- and Analogues. A New Family of Aromatic Molecules?
217 views
The Aromatic Character of Magnesium Porphyrins
The Aromatic Character of Magnesium Porphyrins
212 views
Antiaromatic Character of 16 π Electron Octaethylporphyrins: Magnetically Induced Ring Currents from DFT-GIMIC Calculations
Antiaromatic Character of 16 π Electron Octaethylporphyrins: Magnetically Induced Ring Currents from DFT-GIMIC Calculations
212 views