Bernard Silvi - researchr alias

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Viewing Publication 1 - 11 from 11

2019

2016

Theoretical strategies toward stabilization of singlet remote N-heterocyclic carbenesBitupon Borthakur, Bernard Silvi, Rian D. Dewhurst, Ashwini K. Phukan. jcc, 37(16):1484-1490, 2016. [doi]

2012

Electronic fluxes during diels-alder reactions involving 1, 2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theoryPatricio González-Navarrete, Luis R. Domingo, Juan Andrés, Slawomir Berski, Bernard Silvi. jcc, 33(30):2400-2411, 2012. [doi]

2007

New insights on the bridge carbon-carbon bond in propellanes: A theoretical study based on the analysis of the electron localization functionVictor Polo, Juan Andrés, Bernard Silvi. jcc, 28(5):857-864, 2007. [doi]

2005

Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2OMaria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani, Bernard Silvi. jcc, 26(12):1284-1293, 2005. [doi]

2004

Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 moleculesMaria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani, Bernard Silvi. jcc, 25(13):1647-1655, 2004. [doi]

2000

Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function (ELF)Franck Fuster, Alain Sevin, Bernard Silvi. jcc, 21(7):509-514, 2000. [doi]

1999

1998

DFT-predicted structural, vibrational, and bonding properties of XSiO and X2SiO (X=F, Cl, or Br) moleculesMohammad Esmaïl Alikhani, Bernard Silvi. jcc, 19(11):1205-1214, 1998. [doi]

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