A density functional theory study on the low-lying states of CrO2

Journal of Molecular Structure: THEOCHEM

Volumn 498, Issue 1-3, 2000, Pages 61-68

  Li, G L ^a   Xu, W G ^a   Li, Q S ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Chromium dioxide; Density functional theory study; Geometry optimization; Harmonic vibrational frequency calculation; Low lying states

Indexed keywords

CHROMIUM DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; ELECTRON; EXPERIMENT; GEOMETRY; INTERMETHOD COMPARISON; STRUCTURE ANALYSIS; THEORY; VIBRATION;

EID: 0034724008     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00212-2     Document Type: Article

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