Binding energies and structures of Nal-(CH3CN)n=1-9 clusters: Theoretical study of the contact ion pair versus the solvent-separated ion pair structures in a molecular cluster

Journal of Physical Chemistry A

Volumn 104, Issue 22, 2000, Pages 5204-5212

  Gregoire G ^a,b   Brenner, V ^a   Millie P ^a  

^a Centre d Etudes Nucléaires de Saclay   (France)

^b UNIVERSITÉ PARIS SACLAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; BINDING ENERGY; CHEMICAL BONDS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; PHOTOIONIZATION;

CONTACT ION PAIR (CIP); POTENTIAL ENERGY SURFACE (PES); SOLVENT-SEPARATED ION PAIR (SSIP);

SODIUM COMPOUNDS;

EID: 0343715578     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp992586l     Document Type: Article

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