Density functional theory and the computation of vibrational spectra of reactive organic species

Molecular Physics

Volumn 98, Issue 16, 2000, Pages 1107-1115

  Hess Jr , B Andes ^a   Schaad, L J ^a  

^a VANDERBILT UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTATIONAL METHODS; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION;

CYCLOBUTADIENE; OPEN SHELL SYSTEMS; REACTIVE ORGANIC SPECIES; VIBRATIONAL SPECTRA;

ORGANIC COMPOUNDS;

EID: 0034692155     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970050080474     Document Type: Article

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