Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s-trans- and s-gauche-1,3-Butadiene

Journal of Physical Chemistry A

Volumn 119, Issue 43, 2015, Pages 10706-10723

  Krasnoshchekov, Sergey V ^a   Craig, Norman C ^b   Boopalachandran, Praveenkumar ^c   Laane, Jaan ^c   Stepanov, Nikolay F ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b OBERLIN COLLEGE   (United States)

^c TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFERENTIATION (CALCULUS); FORECASTING; GASES; OPTICAL PROPERTIES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; QUANTUM THEORY; RAMAN SCATTERING;

ANHARMONIC VIBRATIONAL ANALYSIS; ELECTROOPTICAL PROPERTIES; NUMERICAL DIFFERENTIATION; QUADRATIC FORCE FIELDS; RAMAN SCATTERING SPECTRA; ROOT MEAN SQUARE DEVIATIONS; SECOND-ORDER OPERATORS; VIBRATIONAL PERTURBATION THEORY;

VIBRATIONS (MECHANICAL);

EID: 84946122744     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b07650     Document Type: Article

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