Bernard Silvi
Bernard Silvi
Professeur émérite, Laboratoire de Chimie Théorique, Université Pierre et Marie Curie
Adresse e-mail validée de lct.jussieu.fr - Page d'accueil
TitreCitée parAnnée
Classification of chemical bonds based on topological analysis of electron localization functions
B Silvi, A Savin
Nature 371 (6499), 683, 1994
24331994
Computational tools for the electron localization function topological analysis
S Noury, X Krokidis, F Fuster, B Silvi
Computers & chemistry 23 (6), 597-604, 1999
6661999
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
5382005
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
5321996
Theoretical analysis of the structures of titanium dioxide crystals
A Fahmi, C Minot, B Silvi, M Causa
Physical Review B 47 (18), 11717, 1993
3111993
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
2521997
The synaptic order: a key concept to understand multicenter bonding
B Silvi
Journal of molecular structure 614 (1-3), 3-10, 2002
2422002
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
2131988
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
1862005
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
1781998
Direct space representation of the metallic bond
B Silvi, C Gatti
The Journal of Physical Chemistry A 104 (5), 947-953, 2000
1712000
Does the topological approach characterize the hydrogen bond?
F Fuster, B Silvi
Theoretical Chemistry Accounts 104 (1), 13-21, 2000
1552000
How topological partitions of the electron distributions reveal delocalization
B Silvi
Physical Chemistry Chemical Physics 6 (2), 256-260, 2004
1492004
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
1462003
Variation of interatomic distances in ice VIII to 10 GPa
JM Besson, P Pruzan, S Klotz, G Hamel, B Silvi, RJ Nelmes, JS Loveday, ...
Physical Review B 49 (18), 12540, 1994
1431994
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
1392008
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
1392003
Electron localization function at the correlated level
E Matito, B Silvi, M Duran, M Sola
The Journal of chemical physics 125 (2), 024301, 2006
1242006
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
1232008
Chemical bonding in hypervalent molecules: is the octet rule relevant?
S Noury, B Silvi, RJ Gillespie
Inorganic chemistry 41 (8), 2164-2172, 2002
1162002
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