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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
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February 27, 2025
Bond Alternation and Bond Equalization in Linear and Cyclic Conjugated Hydrocarbons: Compared Roles of Sigma and pi Binding using Orbital Forces
Patrick Chaquin, François Volatron
The Journal of Physical Chemistry. A
|
February 27, 2009
Inductive effects on proton affinity of benzene derivatives: analysis using fictitious hydrogen atoms
Elise Dumont, Patrick Chaquin
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 27, 2017
Analysis of Reaction Processes On the Basis of the Evolution of Dynamic Orbital Forces: Examples of Cycloadditions, S<sub>N</sub> 2 Substitution, Nucleophilic Addition, and Hydrogen Transposition
Patrick Chaquin, Franck Fuster
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 4, 2014
Organohelium compounds: structures, stabilities and chemical bonding analyses
Isabelle Fourré, Elsa Alvarez, Patrick Chaquin
Journal of Computational Chemistry
|
June 18, 2024
How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules
Patrick Chaquin, Franck Fuster, Alexis Markovits
Journal of Molecular Modeling
|
February 15, 2020
Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a "weakened" Li<sup></sup>
Hélène Gérard, Patrick Chaquin, Jacques Maddaluno
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2023
Conformational preference analysis in C<sub>2</sub>H<sub>6</sub> using orbital forces and non-covalent interactions; comparison with related systems
Trinidad Novoa, Julia Contreras-García, Patrick Chaquin
The Journal of Chemical Physics
|
July 21, 2004
Electron pair localization function: a practical tool to visualize electron localization in molecules from quantum Monte Carlo data
Anthony Scemama, Patrick Chaquin, Michel Caffarel
Physical Chemistry Chemical Physics : PCCP
|
September 22, 2022
Formation of CO, CH<sub>4</sub>, H<sub>2</sub>CO and CH<sub>3</sub>CHO through the H<sub>2</sub>CCO + H surface reaction under interstellar conditions
Mohamad Ibrahim, Jean-Claude Guillemin, Patrick Chaquin, et al.
Journal of Computational Chemistry
|
December 10, 2020
Orbital energies and nuclear forces in DFT: Interpretation and validation
Rubén Laplaza, Carlos Cárdenas, Patrick Chaquin, et al.
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Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 27, 2025
Bond Alternation and Bond Equalization in Linear and Cyclic Conjugated Hydrocarbons: Compared Roles of Sigma and pi Binding using Orbital Forces
Patrick Chaquin, François Volatron
The Journal of Physical Chemistry. A
|
February 27, 2009
Inductive effects on proton affinity of benzene derivatives: analysis using fictitious hydrogen atoms
Elise Dumont, Patrick Chaquin
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 27, 2017
Analysis of Reaction Processes On the Basis of the Evolution of Dynamic Orbital Forces: Examples of Cycloadditions, S<sub>N</sub> 2 Substitution, Nucleophilic Addition, and Hydrogen Transposition
Patrick Chaquin, Franck Fuster
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 4, 2014
Organohelium compounds: structures, stabilities and chemical bonding analyses
Isabelle Fourré, Elsa Alvarez, Patrick Chaquin
Journal of Computational Chemistry
|
June 18, 2024
How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules
Patrick Chaquin, Franck Fuster, Alexis Markovits
Journal of Molecular Modeling
|
February 15, 2020
Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a "weakened" Li<sup></sup>
Hélène Gérard, Patrick Chaquin, Jacques Maddaluno
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2023
Conformational preference analysis in C<sub>2</sub>H<sub>6</sub> using orbital forces and non-covalent interactions; comparison with related systems
Trinidad Novoa, Julia Contreras-García, Patrick Chaquin
The Journal of Chemical Physics
|
July 21, 2004
Electron pair localization function: a practical tool to visualize electron localization in molecules from quantum Monte Carlo data
Anthony Scemama, Patrick Chaquin, Michel Caffarel
Physical Chemistry Chemical Physics : PCCP
|
September 22, 2022
Formation of CO, CH<sub>4</sub>, H<sub>2</sub>CO and CH<sub>3</sub>CHO through the H<sub>2</sub>CCO + H surface reaction under interstellar conditions
Mohamad Ibrahim, Jean-Claude Guillemin, Patrick Chaquin, et al.
Journal of Computational Chemistry
|
December 10, 2020
Orbital energies and nuclear forces in DFT: Interpretation and validation
Rubén Laplaza, Carlos Cárdenas, Patrick Chaquin, et al.
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of 2