Accurate first-principles calculations for 12CH3D infrared spectra from isotopic and symmetry transformations

Journal of Chemical Physics

Volumn 141, Issue 4, 2014, Pages

  Rey, Michaël ^a   Nikitin, Andrei V ^b,c   Tyuterev, Vladimir G ^a  

^a CNRS   (France)

^b V E ZUEV INSTITUTE OF ATMOSPHERIC OPTICS   (Russian Federation)

^c TOMSK STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTOPES; MATHEMATICAL TRANSFORMATIONS; METHANE; QUANTUM THEORY;

CO-ORDINATE TRANSFORMATION; EXPERIMENTAL SPECTRA; FIRST-PRINCIPLES CALCULATION; HIGH-RESOLUTION SPECTRA; NONLINEAR NORMAL MODES; NUMERICAL PROCEDURES; ROVIBRATIONAL STATE; THEORETICAL SPECTRA;

CALCULATIONS;

EID: 84905638837     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4890956     Document Type: Article

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