DFT-predicted structural, vibrational, and bonding properties of XSiO and X2SiO (X=F, Cl, or Br) molecules. - Mohammad Esmaïl Alikhani; Bernard Silvi (J. Comput. Chem., 1998)

Computational Tools for the Electron Localization Function Topological Analysis. - Stéphane Noury; Xénophon Krokidis; Franck Fuster; Bernard Silvi (Comput. Chem., 1999)

Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds. - Isabelle Fourré; Bernard Silvi; Patrick Chaquin; Alain Sevin (J. Comput. Chem., 1999)

Topological analysis of electron density in depleted homopolar chemical bonds. - Rosa Llusar; Armando Beltrán; Juan Andrés; Stéphane Noury; Bernard Silvi (J. Comput. Chem., 1999)

Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function (ELF). - Franck Fuster; Alain Sevin; Bernard Silvi (J. Comput. Chem., 2000)

Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules. - Maria Del Carmen Michelini; Nino Russo; Mohammad Esmaïl Alikhani; Bernard Silvi (J. Comput. Chem., 2004)

Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O. - Maria Del Carmen Michelini; Nino Russo; Mohammad Esmaïl Alikhani; Bernard Silvi (J. Comput. Chem., 2005)

New insights on the bridge carbon-carbon bond in propellanes: A theoretical study based on the analysis of the electron localization function. - Victor Polo 002; Juan Andrés; Bernard Silvi (J. Comput. Chem., 2007)

Electronic fluxes during diels-alder reactions involving 1, 2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory. - Patricio González-Navarrete; Luis R. Domingo; Juan Andrés; Slawomir Berski; Bernard Silvi (J. Comput. Chem., 2012)

Theoretical strategies toward stabilization of singlet remote N-heterocyclic carbenes. - Bitupon Borthakur; Bernard Silvi; Rian D. Dewhurst; Ashwini K. Phukan (J. Comput. Chem., 2016)

Nine questions on energy decomposition analysis. - Juan Andrés; Paul W. Ayers; Roberto Álvarez Boto; Ramon Carbó-Dorca; Henry Chermette; Jerzy Cioslowski; Julia Contreras-Garcia; David L. Cooper; Gernot Frenking; Carlo Gatti; Farnaz Heidar-Zadeh; Laurent Joubert; et al. (J. Comput. Chem., 2019)