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Comparison of independently calculated ab initio normal-mode displacements for the three C-H stretching vibrations of methanol along the internal rotation path

Article ID Journal Published Year Pages File Type
5414667 Journal of Molecular Spectroscopy 2014 6 Pages PDF
Abstract
Torsional angle in degrees for a complete internal rotation: 60° ⩽ γ ⩽ 420°.
Keywords
Ab initionormal modesGeometric phaseMethanolInternal rotation
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Comparison of independently calculated ab initio normal-mode displacements for the three C-H stretching vibrations of methanol along the internal rotation path
Authors
Li-Hong Xu, R.M. Lees, Jon T. Hougen, Joel M. Bowman, Xinchuan Huang, Stuart Carter,
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Journal
Journal of Molecular Spectroscopy
Journal: Journal of Molecular Spectroscopy
Related Categories
Ab initio
normal modes
Geometric phase
Methanol
Internal rotation
Analytical Chemistry
Chemistry (General)
Electrochemistry
Inorganic Chemistry
Organic Chemistry
Physical and Theoretical Chemistry
Spectroscopy
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