Symmetry and Fourier analysis of the ab initio-determined torsional variation of structural and Hessian-related quantities for application to vibration-torsion-rotation interactions in CH3OH

Journal of Molecular Spectroscopy

Volumn 260, Issue 2, 2010, Pages 88-104

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

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

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

Author keywords

Forces; Hessian; Internal rotation; Large amplitude motion; Methanol; Torsional variation in structure; Vibration torsion interactions; Vibrational displacements

Indexed keywords

HESSIAN; INTERNAL ROTATIONS; LARGE-AMPLITUDE MOTION; STRUCTURE VIBRATION; VIBRATIONAL DISPLACEMENT;

FOURIER ANALYSIS; FOURIER SERIES; HARMONIC ANALYSIS; HYDROCARBONS; METHANOL; ROTATION; TORSIONAL STRESS;

VIBRATION ANALYSIS;

EID: 77949916344     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2010.01.001     Document Type: Article

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