Lower vibrational states of SO2. Density functional and discrete variable representation approach

Journal of Molecular Structure: THEOCHEM

Volumn 629, Issue 1-3, 2003, Pages 61-70

  Zelek, Sławomir ^a   Cyrnek, Lech ^a   Wasilewski, Jan ^a  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

Anharmonic effects; Density functional theory; Discrete variable representation; Vibrational states

Indexed keywords

SILICON DIOXIDE;

ARTICLE; ATOMIC PARTICLE; CALCULATION; COORDINATION; DENSITY; ENERGY; FORCE; NORMAL DISTRIBUTION; SPECTROSCOPY; VIBRATION; WAVEFORM;

EID: 0042473980     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00127-1     Document Type: Article

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