Classification of chemical bonds based on topological analysis of electron localization functions B Silvi, A Savin Nature 371 (6499), 683-686, 1994 | 4101 | 1994 |
Computational tools for the electron localization function topological analysis S Noury, X Krokidis, F Fuster, B Silvi Computers & chemistry 23 (6), 597-604, 1999 | 933 | 1999 |
Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches J Poater, M Duran, M Sola, B Silvi Chemical reviews 105 (10), 3911-3947, 2005 | 797 | 2005 |
Topological analysis of the electron localization function applied to delocalized bonds A Savin, B Silvi, F Colonna Canadian journal of chemistry 74 (6), 1088-1096, 1996 | 716 | 1996 |
Characterization of elementary chemical processes by catastrophe theory X Krokidis, S Noury, B Silvi The Journal of Physical Chemistry A 101 (39), 7277-7282, 1997 | 425 | 1997 |
Theoretical analysis of the structures of titanium dioxide crystals A Fahmi, C Minot, B Silvi, M Causa Physical Review B 47 (18), 11717, 1993 | 364 | 1993 |
The synaptic order: a key concept to understand multicenter bonding B Silvi Journal of molecular structure 614 (1-3), 3-10, 2002 | 335 | 2002 |
Does the topological approach characterize the hydrogen bond? F Fuster, B Silvi Theoretical Chemistry Accounts 104, 13-21, 2000 | 291 | 2000 |
Charge‐shift bonding—a class of electron‐pair bonds that emerges from valence bond theory and is supported by the electron localization function approach S Shaik, D Danovich, B Silvi, DL Lauvergnat, PC Hiberty Chemistry–A European Journal 11 (21), 6358-6371, 2005 | 272 | 2005 |
Direct space representation of the metallic bond B Silvi, C Gatti The Journal of Physical Chemistry A 104 (5), 947-953, 2000 | 231 | 2000 |
Topological analysis of the electron localization function (ELF) applied to the electrophilic aromatic substitution F Fuster, A Sevin, B Silvi The Journal of Physical Chemistry A 104 (4), 852-858, 2000 | 221 | 2000 |
Extended gaussian-type valence basis sets for calculations involving non-empirical core pseudopotentials: I. PS-31 G basis for Li to Ca and Ga to Kr atoms Y Bouteiller, C Mijoule, M Nizam, JC Barthelat, JP Daudey, M Pelissier, ... Molecular Physics 65 (2), 295-312, 1988 | 220 | 1988 |
Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology V Polo, J Andres, S Berski, LR Domingo, B Silvi The Journal of Physical Chemistry A 112 (31), 7128-7136, 2008 | 198 | 2008 |
Analysis of the delocalization in the topological theory of chemical bond S Noury, F Colonna, A Savin, B Silvi Journal of molecular structure 450 (1-3), 59-68, 1998 | 194 | 1998 |
Mixed sites and promoter segregation: A DFT study of the manifestation of Le Chatelier's principle for the Co (Ni) MoS active phase in reaction conditions E Krebs, B Silvi, P Raybaud Catalysis today 130 (1), 160-169, 2008 | 183 | 2008 |
The joint use of catastrophe theory and electron localization function to characterize molecular mechanisms. A density functional study of the diels− alder reaction between … S Berski, J Andrés, B Silvi, LR Domingo The Journal of Physical Chemistry A 107 (31), 6014-6024, 2003 | 180 | 2003 |
Chemical bonding in hypervalent molecules: is the octet rule relevant? S Noury, B Silvi, RJ Gillespie Inorganic chemistry 41 (8), 2164-2172, 2002 | 178 | 2002 |
Electron localization function at the correlated level E Matito, B Silvi, M Duran, M Sola The Journal of chemical physics 125 (2), 2006 | 177 | 2006 |
How topological partitions of the electron distributions reveal delocalization B Silvi Physical Chemistry Chemical Physics 6 (2), 256-260, 2004 | 173 | 2004 |
The spin-pair compositions as local indicators of the nature of the bonding B Silvi The Journal of Physical Chemistry A 107 (17), 3081-3085, 2003 | 166 | 2003 |