First-principles computation of the anharmonic vibrational spectra of sulfuryl halides SO2X2 (X = F, Cl, Br)

Chemical Physics

Volumn 324, Issue 2-3, 2006, Pages 359-366

  Kowal, Andrzej T ^a  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Anharmonic; Effective core potential; MP2; Sulfuryl bromide; Sulfuryl chloride; Sulfuryl fluoride; Vibrational self consistent field

Indexed keywords

EID: 33646804135     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.10.033     Document Type: Article

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