Structures, energetics, and spectra of fluoride-water clusters F-(H2O)n, n=1-6: Ab initio study

Journal of Chemical Physics

Volumn 110, Issue 18, 1999, Pages 9116-9127

  Baik, Jiwon ^a   Kim, Jongseob ^a   Majumdar, D ^a   Kim, Kwang S ^a  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CHARGE-TRANSFER-TO-SOLVENT; EXPERIMENTAL VALUES; INCREASING TEMPERATURES; INTERNAL STRUCTURE; MANY-BODY INTERACTIONS; MOLECULAR SIMULATIONS; POTENTIAL FUNCTION;

ENTROPY; IONIZATION POTENTIAL;

SURFACE STRUCTURE;

EID: 0000032505     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478833     Document Type: Article

References (1)

1. H. Haberland, Cluster of Atoms and Molecules (Springer Series in Chemical Physics, Springer, Berlin, 1994).