One-electron quantum capping potential for hybrid QM/MM studies of silicate molecules and solids

Journal article

Peer reviewed

Nicolas Jardillier and Annick Goursot

Chemical Physics Letters, Vol.454, pp.65-69

01/02/2008

Abstract

capping potential

QM/MM

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Title: One-electron quantum capping potential for hybrid QM/MM studies of silicate molecules and solids
Creators - without role: Nicolas Jardillier - Centre National de la Recherche Scientifique
Annick Goursot - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Publication Details: Chemical Physics Letters, Vol.454, pp.65-69
Identifiers: 9944948609311
Academic Unit: Institut Charles Gerhardt Montpellier - ICGM
Language: English
Resource Type: Journal article
Local Fields: hal-00277750