Multicentered effective group potentials: Ligand-field effects in organometallic clusters and dynamical study of chemical reactivity

Theoretical Chemistry Accounts

Volumn 126, Issue 3, 2010, Pages 151-163

  Raynaud, Christophe ^c   del Rosal, Iker ^a,b   Jolibois, Franck ^a,b   Maron, Laurent ^a,b   Poteau, Romuald ^a,b  

^a INSA   (France)

^b CNRS   (France)

^c UNIVERSITÉ DE MONTPELLIER   (France)

Author keywords

Ab initio molecular dynamics; Chemical reactivity; Effective group potentials; Organometallic clusters and nanoparticles

Indexed keywords

EID: 77953475797     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0615-z     Document Type: Article

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