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Physical Chemistry Chemical Physics : PCCP|January 23, 2023
Conformational preference analysis in C2H6 using orbital forces and non-covalent interactions; comparison with related systemsTrinidad Novoa, Julia Contreras-García, Patrick ChaquinThe Journal of Chemical Physics|June 3, 2019
The Pauli principle and the confinement of electron pairs in a double well: Aspects of electronic bonding under pressureTrinidad Novoa, Julia Contreras-García, Patricio Fuentealba, et al.Faraday Discussions|August 30, 2024
Introducing electron correlation in solid-state calculations for superconducting statesWilver A Muriel, Trinidad Novoa, Carlos Cárdenas, et al.Journal of Chemical Information and Modeling|August 4, 2023
The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular SystemsTrinidad Novoa, Rubén Laplaza, Francesca Peccati, et al.Journal of Computational Chemistry|December 10, 2020
Orbital energies and nuclear forces in DFT: Interpretation and validationRubén Laplaza, Carlos Cárdenas, Patrick Chaquin, et al.Chemical Science|November 27, 2024
TcESTIME: predicting high-temperature hydrogen-based superconductorsTrinidad Novoa, Matías E di Mauro, Diego Inostroza, et al.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 ForcesPatrick Chaquin, François VolatronThe Journal of Physical Chemistry. A|February 27, 2009
Inductive effects on proton affinity of benzene derivatives: analysis using fictitious hydrogen atomsElise Dumont, Patrick ChaquinChemphyschem : 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, SN 2 Substitution, Nucleophilic Addition, and Hydrogen TranspositionPatrick Chaquin, Franck FusterChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 4, 2014
Organohelium compounds: structures, stabilities and chemical bonding analysesIsabelle Fourré, Elsa Alvarez, Patrick ChaquinPageof 9