On the physical interpretation of ab initio normal-mode coordinates for the three C-H stretching vibrations of methanol along the internal-rotation path

Journal of Molecular Spectroscopy

Volumn 293-294, Issue , 2013, Pages 38-59

  Xu, Li Hong ^a   Hougen, Jon T ^b   Lees, R M ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

CH stretching vibrations; Internal rotation; L matrices; Methanol; Minimum energy path (MEP); Projected frequency calculations; Vibrational displacement vectors

Indexed keywords

FREQUENCY CALCULATIONS; INTERNAL ROTATIONS; MINIMUM ENERGY PATHS; STRETCHING VIBRATIONS; VIBRATIONAL DISPLACEMENT;

CALCULATIONS; GAUSSIAN DISTRIBUTION; METHANOL; STRETCHING; TORSIONAL STRESS;

VIBRATIONS (MECHANICAL);

EID: 84889082493     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2013.09.002     Document Type: Article

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