Theoretical and experimental studies of the structure and vibrational spectra of NTO

Journal of Molecular Structure

Volumn 384, Issue 2-3, 1996, Pages 87-99

  Sorescu, Dan C ^a,c   Sutton, Teressa R L ^a   Thompson, Donald L ^a   Beardall, David ^b   Wight, Charles A ^b  

^a OKLAHOMA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF UTAH   (United States)

^c UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

Ab initio molecular orbital calculation; Density functional theory calculation; Infrared spectrum; NTO; Potential energy surface

Indexed keywords

EID: 0030608301     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(96)09343-X     Document Type: Article

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