An ab initio study on the phosgene-water complex

Journal of Molecular Structure: THEOCHEM

Volumn 631, Issue 1-3, 2003, Pages 21-28

  Tanaka, N ^a   Tamezane, T ^a   Nishikiori, H ^a   Fujii, T ^a  

^a SHINSHU UNIVERSITY   (Japan)

Author keywords

Ab initio; Intermolecular charge transfer; Natural bond orbital analysis; Phosgene water complex

Indexed keywords

PHOSGENE;

AB INITIO CALCULATION; ARTICLE; COMPLEX FORMATION; ELECTRON TRANSPORT; HYDROGEN BOND; MOLECULAR INTERACTION; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; THEORY; WATER CONTAMINATION;

EID: 0043269206     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00129-5     Document Type: Article

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