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Bernard Silvi
Bernard Silvi
Professeur émérite, Laboratoire de Chimie Théorique, Université Pierre et Marie Curie
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Classification of chemical bonds based on topological analysis of electron localization functions
B Silvi, A Savin
Nature 371 (6499), 683-686, 1994
32871994
Computational tools for the electron localization function topological analysis
S Noury, X Krokidis, F Fuster, B Silvi
Computers & chemistry 23 (6), 597-604, 1999
8391999
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
6782005
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
6181996
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
3561997
Theoretical analysis of the structures of titanium dioxide crystals
A Fahmi, C Minot, B Silvi, M Causa
Physical Review B 47 (18), 11717, 1993
3541993
The synaptic order: a key concept to understand multicenter bonding
B Silvi
Journal of molecular structure 614 (1-3), 3-10, 2002
2892002
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
2322005
Does the topological approach characterize the hydrogen bond?
F Fuster, B Silvi
Theoretical Chemistry Accounts 104 (1), 13-21, 2000
2092000
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
2031988
Direct space representation of the metallic bond
B Silvi, C Gatti
The Journal of Physical Chemistry A 104 (5), 947-953, 2000
1972000
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
1871998
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
1692008
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
1652008
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
1642000
How topological partitions of the electron distributions reveal delocalization
B Silvi
Physical Chemistry Chemical Physics 6 (2), 256-260, 2004
1622004
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
1552003
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
1541994
Chemical bonding in hypervalent molecules: is the octet rule relevant?
S Noury, B Silvi, RJ Gillespie
Inorganic chemistry 41 (8), 2164-2172, 2002
1532002
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
1522003
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