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The top documents of fernando-bernardi

Curso ABAP C&C2
Curso ABAP C&C2
834 views
Curso Seg Da Informacao V3
Curso Seg Da Informacao V3
85 views
An ab initio study of the dioxygen binding site of hemocyanin: A comparison between CASSCF, CASPT2, and DFT approaches
An ab initio study of the dioxygen binding site of hemocyanin: A comparison between CASSCF, CASPT2, and DFT approaches
216 views
Gas-Phase Reactions of Nitronium Ions with Acetylene and Ethylene: An Experimental and Theoretical Study
Gas-Phase Reactions of Nitronium Ions with Acetylene and Ethylene: An Experimental and Theoretical Study
216 views
Pseudopeptide Foldamers: The Homo-Oligomers of Pyroglutamic Acid
Pseudopeptide Foldamers: The Homo-Oligomers of Pyroglutamic Acid
213 views
Exploring Organic Chemistry with DFT: Radical, Organo-metallic, and Bio-organic Applications
Exploring Organic Chemistry with DFT: Radical, Organo-metallic, and Bio-organic Applications
213 views
Quantitative PMO Analysis of a Free Radical Reaction Pathway
Quantitative PMO Analysis of a Free Radical Reaction Pathway
213 views
Exploring Organic Chemistry with DFT: Radical, Organometallic, and Bioorganic Applications
Exploring Organic Chemistry with DFT: Radical, Organometallic, and Bioorganic Applications
214 views
Transition structure in a diabatic surface formalism
Transition structure in a diabatic surface formalism
214 views
A hypothetical mechanism for HIV-1 integrase catalytic action: DFT modelling of a bio-mimetic environment
A hypothetical mechanism for HIV-1 integrase catalytic action: DFT modelling of a bio-mimetic environment
213 views
Fragment interaction analysis in the framework of ab-initio UHF-MO computations : Part IV. The second row effect in β-substituted ethyl radicals
Fragment interaction analysis in the framework of ab-initio UHF-MO computations : Part IV. The second row effect in β-substituted ethyl radicals
217 views
The role of conical intersections and excited state reaction paths in photochemical pericyclic reactions
The role of conical intersections and excited state reaction paths in photochemical pericyclic reactions
213 views
Fragment interaction analysis of structural problems in the framework ofAb initio SCF-MO computations
Fragment interaction analysis of structural problems in the framework ofAb initio SCF-MO computations
221 views
An ab initio MC-SCF study of the solvent effects in polar and non-polar [2 + 2] cycloadditions
An ab initio MC-SCF study of the solvent effects in polar and non-polar [2 + 2] cycloadditions
218 views
A quantitative diabatic surface analysis of basis set effects in reactivity problems
A quantitative diabatic surface analysis of basis set effects in reactivity problems
212 views
An effective hamiltonian formalism for the computation of diabatic surfaces
An effective hamiltonian formalism for the computation of diabatic surfaces
215 views
The relationship between the nature of the critical points and the shape of the diabatic surfaces in multicenter reactions
The relationship between the nature of the critical points and the shape of the diabatic surfaces in multicenter reactions
215 views
An ab initio study of the structural properties of β-substituted ethyl-free radicals
An ab initio study of the structural properties of β-substituted ethyl-free radicals
212 views
An ab initio SCF-MO study of the aromaticity of some cyclic compounds
An ab initio SCF-MO study of the aromaticity of some cyclic compounds
212 views
3. Screen and Menu Painter.pdf
3. Screen and Menu Painter.pdf
223 views