Benoit Braïda

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Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of JerusalemAdresse e-mail validée de yfaat.ch.huji.ac.il
David DanovichInstitute of Chemistry, The Hebrew UniversityAdresse e-mail validée de mail.huji.ac.il
Stephane HUMBELProf Chemistry, université Aix-MarseilleAdresse e-mail validée de univ-amu.fr
Bernd Engelsretired Professor, University of WürzburgAdresse e-mail validée de uni-wuerzburg.de
Slavko RadenkovicProfessor, Faculty of Science, University of KragujevacAdresse e-mail validée de kg.ac.rs
mathieu linaresKTH Royal Institute of TechnologyAdresse e-mail validée de kth.se
Enric CanadellInstitut de Ciència de Materials de Barcelona (ICMAB-CSIC)Adresse e-mail validée de icmab.es
Julien ToulouseLaboratoire de Chimie Théorique, Sorbonne Université & CNRS, IUF, Paris, FranceAdresse e-mail validée de lct.jussieu.fr
Michel CaffarelCNRS-Université de ToulouseAdresse e-mail validée de irsamc.ups-tlse.fr
Evert Jan BaerendsProfessor of Theoretical Chemistry, Vrije Universiteit, AmsterdamAdresse e-mail validée de vu.nl
Rosa LlusarUniversitat Jaume IAdresse e-mail validée de uji.es
Cristian Vicent BarreraUniversidad jaume I, SCICAdresse e-mail validée de uji.es
Romain RamozziFukui Institute for Fundamental ChemistryAdresse e-mail validée de fukui.kyoto-u.ac.jp
C. J. UmrigarCornell UniversityAdresse e-mail validée de cornell.edu
Stefan AdamsAssoc. Professor of Materials Science & Engineering, National University of SingaporeAdresse e-mail validée de nus.edu.sg
Liangyu GuanThe Johns Hopkins UniversityAdresse e-mail validée de jhu.edu
Etienne DeratSorbonne UniversitéAdresse e-mail validée de sorbonne-universite.fr
Ángel Martín PendásProfesor de Química Física (UOV)Adresse e-mail validée de uniovi.es
Eduardo Machado-CharrySenior Scientist, Graz University of TechnologyAdresse e-mail validée de tugraz.at
P. OrdejonICN2 - Institut Català de Nanociència i NanotecnologiaAdresse e-mail validée de icn2.cat

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Benoit Braïda

Associate professor in Chemistry, Sorbonne Université

Adresse e-mail validée de sorbonne-universite.fr

Quantum Chemistry Valence Bond theory Chemical Bonding


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
A systematic failing of current density functionals: overestimation of two-center three-electron bonding energies B Braïda, PC Hiberty, A Savin The Journal of Physical Chemistry A 102 (40), 7872-7877, 1998	261	1998
Physical interpretation and evaluation of the Kohn–Sham and Dyson components of the relations between the Kohn–Sham orbital energies and the ionization … OV Gritsenko, B Braida, EJ Baerends The Journal of chemical physics 119 (4), 1937-1950, 2003	150	2003
Single-Component Magnetic Conductors Based on Mo₃S₇ Trinuclear Clusters with Outer Dithiolate Ligands R Llusar, S Uriel, C Vicent, JM Clemente-Juan, E Coronado, ... Journal of the American Chemical Society 126 (38), 12076-12083, 2004	118	2004
A clear correlation between the diradical character of 1, 3-dipoles and their reactivity toward ethylene or acetylene B Braida, C Walter, B Engels, PC Hiberty Journal of the American Chemical Society 132 (22), 7631-7637, 2010	115	2010
Charge‐shift bonding: a new and unique form of bonding S Shaik, D Danovich, JM Galbraith, B Braïda, W Wu, PC Hiberty Angewandte Chemie 132 (3), 996-1013, 2020	105	2020
The essential role of charge-shift bonding in hypervalent prototype XeF₂ B Braïda, PC Hiberty Nature Chemistry 5 (5), 417-422, 2013	101	2013
A valence bond view of isocyanides' electronic structure R Ramozzi, N Chéron, B Braïda, PC Hiberty, P Fleurat-Lessard New Journal of Chemistry 36 (5), 1137-1140, 2012	86	2012
The Quadruple Bonding in C₂ Reproduces the Properties of the Molecule S Shaik, D Danovich, B Braida, PC Hiberty Chemistry–A European Journal 22 (12), 4116-4128, 2016	66	2016
Quantum Monte Carlo with Jastrow-valence-bond wave functions B Braïda, J Toulouse, M Caffarel, CJ Umrigar The Journal of chemical physics 134 (8), 2011	58	2011
Diatomic Halogen Anions and Related Three-Electron-Bonded Anion Radicals: Very Contrasted Performances of Møller− Plesset Methods in Symmetric vs Dissymmetric Cases B Braïda, PC Hiberty The Journal of Physical Chemistry A 104 (19), 4618-4628, 2000	58	2000
Concerning the Structure of Hydrogen Molybdenum Bronze Phase III. A Combined Theoretical− Experimental Study B Braïda, S Adams, E Canadell Chemistry of materials 17 (24), 5957-5969, 2005	57	2005
On the nature of blueshifting hydrogen bonds Y Mo, C Wang, L Guan, B Braida, PC Hiberty, W Wu Chemistry–A European Journal 20 (27), 8444-8452, 2014	53	2014
What Makes the Trifluoride Anion F₃^- So Special? A Breathing-Orbital Valence Bond ab Initio Study B Braïda, PC Hiberty Journal of the American Chemical Society 126 (45), 14890-14898, 2004	51	2004
Application of the Valence Bond Mixing Configuration Diagrams to Hypervalency in Trihalide Anions: A Challenge to the Rundle− Pimentel Model B Braïda, PC Hiberty The Journal of Physical Chemistry A 112 (50), 13045-13052, 2008	45	2008
Stability, metastability, and unstability of three-electron-bonded radical anions. A model ab initio theoretical study B Braïda, L Thogersen, W Wu, PC Hiberty Journal of the American Chemical Society 124 (39), 11781-11790, 2002	42	2002
The V state of ethylene: valence bond theory takes up the challenge W Wu, H Zhang, B Braïda, S Shaik, PC Hiberty Thom H. Dunning, Jr. A Festschrift from Theoretical Chemistry Accounts, 101-113, 2015	40	2015
Charge-shift bonding emerges as a distinct electron-pair bonding family from both valence bond and molecular orbital theories H Zhang, D Danovich, W Wu, B Braïda, PC Hiberty, S Shaik Journal of Chemical Theory and Computation 10 (6), 2410-2418, 2014	38	2014
Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo T Bouabça, B Braïda, M Caffarel The Journal of chemical physics 133 (4), 2010	37	2010
Methyl Substituent Effects in [H_nX∴XH_n]⁺ Three-Electron-Bonded Radical Cations (X = F, O, N, Cl, S, P; n = 1−3). An ab Initio Theoretical Study B Braïda, S Hazebroucq, PC Hiberty Journal of the American Chemical Society 124 (10), 2371-2378, 2002	35	2002
Pleading for a Dual Molecular‐Orbital/Valence‐Bond Culture PC Hiberty, B Braïda Angewandte Chemie International Edition 57 (21), 5994-6002, 2018	32	2018

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