Ab Initio Anharmonic Analysis of Vibrational Spectra of Uracil Using the Numerical-Analytic Implementation of Operator Van Vleck Perturbation Theory

Journal of Physical Chemistry A

Volumn 119, Issue 25, 2015, Pages 6723-6737

  Krasnoshchekov, Sergey V ^a,b   Vogt, Natalja ^a,b   Stepanov, Nikolay F ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; RESONANCE;

AB INITIO PREDICTION; ANHARMONIC FREQUENCIES; EXPERIMENTAL SPECTRA; IR AND RAMAN SPECTRA; MULTIPLE RESONANCES; PERTURBATION THEORY; THEORETICAL METHODS; VIBRATIONAL PERTURBATION THEORY;

PERTURBATION TECHNIQUES;

URACIL;

CHEMICAL MODEL; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

MODELS, CHEMICAL; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; URACIL; VIBRATION;

EID: 84933056584     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b03241     Document Type: Article

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