The r0 structural parameters, vibrational spectra, ab initio calculations and barriers to internal rotation and linearity of methylisocyanate

Journal of Molecular Structure

Volumn 924-926, Issue C, 2009, Pages 111-119

  Zhou, Sarah Xiaohua ^a   Durig, James R ^a  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

Author keywords

Ab initio calculations; Barriers to internal rotation and linearity; Infrared and Raman spectra; Methylisocyanate; r0 Structural parameters

Indexed keywords

AB INITIO CALCULATIONS; BARRIERS TO INTERNAL ROTATION AND LINEARITY; INFRARED AND RAMAN SPECTRA; METHYLISOCYANATE; R0 STRUCTURAL PARAMETERS;

CALCULATIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; LINEARIZATION; MOLECULAR SPECTROSCOPY; PERTURBATION TECHNIQUES; POLARIZATION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; ROTATION;

INFRARED SPECTROSCOPY;

EID: 65049085224     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.12.011     Document Type: Article

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