Patrick Chaquin, Ph.D.

Affiliations: 
Chemistry Université Pierre et Marie Curie, Paris, Île-de-France, France 
Area:
Theoretical Chemistry
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"Patrick Chaquin"
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Publications

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Gérard H, Chaquin P, Maddaluno J. (2020) Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a "weakened" Li. Journal of Molecular Modeling. 26: 59
Chaquin P, Laplaza R, Contreras-Garcia J, et al. (2019) The 'inverted Bonds' revisited. Analysis of 'in silico' models and of  [1.1.1]Propellane using Orbital Forces. Chemistry (Weinheim An Der Bergstrasse, Germany)
Fuster F, Chaquin P. (2019) Analysis of carbon‐carbon bonding in small hydrocarbons and dicarbon using dynamic orbital forces: Bond energies and sigma/pi partition. Comparison with sila compounds International Journal of Quantum Chemistry. 119
Chaquin P, Fuster F, Volatron F. (2018) Bonding/antibonding character of “lone pair” molecular orbitals from their energy derivatives; consequences for experimental data International Journal of Quantum Chemistry. 118: e25658
Chaquin P, Fuster F. (2017) Analysis of Reaction Processes based on the Evolution of dynamic Orbital Forces (DOF);Examples of Cycloadditions, SN2 Substitution, nucleophilic Addition and Hydrogen Transposition. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Zicler E, Bacchus-Montabonel MC, Pauzat F, et al. (2016) Communication: The formation of CHe(2+) by radiative association. The Journal of Chemical Physics. 144: 111103
Chaquin P, Reinhardt P. (2016) Deformation forces in promolecules revisited: Binding of homonuclear diatomic molecules and calculation of stretching vibrational frequencies in diatomic and larger systems Computational and Theoretical Chemistry. 1096: 33-39
Chaquin P, Canac Y, Lepetit C, et al. (2016) Estimating local bonding/antibonding character of canonical molecular orbitals from their energy derivatives. The case of coordinating lone pair orbitals International Journal of Quantum Chemistry. 116: 1285-1295
Fourré I, Alvarez E, Chaquin P. (2014) Organohelium compounds: structures, stabilities and chemical bonding analyses. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 467-77
Braïda B, Derat E, Chaquin P. (2013) Theoretical design of strong neutral radical-boron adducts: trisubstituted boranes as potential radical scavengers. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 2759-63
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