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• W2080145342 endingPage "1965" @default.
• W2080145342 startingPage "1953" @default.
• W2080145342 abstract "The diatomic molecule vanadium oxide, VO, and its charged species VO+ and VO- were studied by multireference and coupled cluster methods in conjunction with large basis sets. The investigation of 22 states and the construction of 21 full potential energy curves allowed for a detailed understanding of the electronic structure of these species. Our best binding energies for the ground states of VO (X4Σ-), VO+ (X3Σ-), and VO- (X3Σ-) were De = 150, 138, and 143 kcal/mol, respectively, in harmony with the corresponding experimental values. For both species VO and VO+ and for all states studied, the bonding showed a strong ionic character conforming to the models V+O- and V2+O-." @default.
• W2080145342 created "2016-06-24" @default.
• W2080145342 creator A5028054457 @default.
• W2080145342 creator A5039267183 @default.
• W2080145342 date "2007-02-22" @default.
• W2080145342 modified "2023-10-01" @default.
• W2080145342 title "Electronic Structure of Vanadium Oxide. Neutral and Charged Species, VO^0,±" @default.
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• W2080145342 doi "https://doi.org/10.1021/jp067451b" @default.
• W2080145342 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17388278" @default.
• W2080145342 hasPublicationYear "2007" @default.
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