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Bernard Silvi
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2010 – 2019
- 2019
- [j11]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, Ángel Martín Pendás, Eduard Matito, István Mayer, Alston J. Misquitta, Yirong Mo, Julien Pilmé, Paul L. A. Popelier, Martin Rahm, Eloy Ramos-Cordoba, Pedro Salvador, W. H. Eugen Schwarz, Shant Shahbazian, Bernard Silvi, Miquel Solà, Krzysztof Szalewicz, Vincent Tognetti, Frank Weinhold, Émilie-Laure Zins:
Nine questions on energy decomposition analysis. J. Comput. Chem. 40(26): 2248-2283 (2019) - 2016
- [j10]Bitupon Borthakur, Bernard Silvi, Rian D. Dewhurst, Ashwini K. Phukan:
Theoretical strategies toward stabilization of singlet remote N-heterocyclic carbenes. J. Comput. Chem. 37(16): 1484-1490 (2016) - 2012
- [j9]Patricio González-Navarrete, Luis R. Domingo, Juan Andrés, Slawomir Berski, Bernard Silvi:
Electronic fluxes during diels-alder reactions involving 1, 2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory. J. Comput. Chem. 33(30): 2400-2411 (2012)
2000 – 2009
- 2007
- [j8]Victor Polo, Juan Andrés, Bernard Silvi:
New insights on the bridge carbon-carbon bond in propellanes: A theoretical study based on the analysis of the electron localization function. J. Comput. Chem. 28(5): 857-864 (2007) - 2005
- [j7]Maria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani, Bernard Silvi:
Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O. J. Comput. Chem. 26(12): 1284-1293 (2005) - 2004
- [j6]Maria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani, Bernard Silvi:
Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules. J. Comput. Chem. 25(13): 1647-1655 (2004) - 2000
- [j5]Franck Fuster, Alain Sevin, Bernard Silvi:
Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function (ELF). J. Comput. Chem. 21(7): 509-514 (2000)
1990 – 1999
- 1999
- [j4]Stéphane Noury, Xénophon Krokidis, Franck Fuster, Bernard Silvi:
Computational Tools for the Electron Localization Function Topological Analysis. Comput. Chem. 23(6): 597-604 (1999) - [j3]Isabelle Fourré, Bernard Silvi, Patrick Chaquin, Alain Sevin:
Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds. J. Comput. Chem. 20(9): 897-910 (1999) - [j2]Rosa Llusar, Armando Beltrán, Juan Andrés, Stéphane Noury, Bernard Silvi:
Topological analysis of electron density in depleted homopolar chemical bonds. J. Comput. Chem. 20(14): 1517-1526 (1999) - 1998
- [j1]Mohammad Esmaïl Alikhani, Bernard Silvi:
DFT-predicted structural, vibrational, and bonding properties of XSiO and X2SiO (X=F, Cl, or Br) molecules. J. Comput. Chem. 19(11): 1205-1214 (1998)
Coauthor Index
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