Ab-initio study of OCCS, OCCS + and related species

Journal of Molecular Structure: THEOCHEM

Volumn 713, Issue 1-3, 2005, Pages 107-111

  Maclagan, Robert G A R ^a  

^a UNIVERSITY OF CANTERBURY   (New Zealand)

Author keywords

Ab initio; Dissociation energy; Ionisation potential; Singlet triplet splitting

Indexed keywords

CARBON DIOXIDE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; COMPARATIVE STUDY; ENTHALPY; GEOMETRY; IONIZATION; PARAMETER;

EID: 10644238039     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.09.051     Document Type: Article

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