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Patrick Chaquin

5PUBLICATIONS

6CO-AUTHORS

Optical properties of materialsColloid and surface chemistrySurface properties of condensed matterCondensed matter modelling and density functional theoryComputational chemistry

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Publications (5)

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|Feb 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

|Jan 17, 2024

The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene H<sub>2</sub>CCO ice <i>versus</i> hydrogenation of mixed H<sub>2</sub>CCO/H<sub>2</sub>O ice at 10 K.

Mohamad Ibrahim, Jean-Claude Guillemin, Patrick Chaquin

|Jan 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

|Nov 07, 2019

The "Inverted Bonds" Revisited: Analysis of "In Silico" Models and of [1.1.1]Propellane by Using Orbital Forces.

Rubén Laplaza, Julia Contreras-Garcia, Franck Fuster

|Jul 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

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Frequent Collaborators

2 joint publications

Julia Contreras-Garcia

2 joint publications

François Volatron

1 joint publications

Rubén Laplaza

1 joint publications

Franck Fuster

1 joint publications

Jean-Claude Guillemin

1 joint publications

Lahouari Krim

Frequent Collaborators

2 joint publications

Julia Contreras-Garcia

2 joint publications

François Volatron

1 joint publications

Rubén Laplaza

1 joint publications

Franck Fuster

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