Intramolecular vibrational coupling contribution to temperature dependence of vibrational mode frequencies

Journal of Chemical Physics

Volumn 136, Issue 14, 2012, Pages

  Kasyanenko, Valeriy M ^a   Keiffer, Patrick ^a   Rubtsov, Igor V ^a  

^a Tulane University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; ANHARMONIC INTERACTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DOMINANT CONTRIBUTIONS; FREQUENCY SHIFT; HIGH-FREQUENCY MODE; HIGH-FREQUENCY VIBRATIONAL MODES; HIGHER FREQUENCIES; ONSAGER; REACTION FIELDS; SOLID MATRIXES; SOLVENT CONTRIBUTION; SOLVENT POLARIZATION; SPECIFIC INTERACTION; TEMPERATURE DEPENDENCE; TEMPERATURE DEPENDENCIES; TEMPERATURE INCREASE; THEORETICAL PREDICTION; TRANSITION DIPOLE; VIBRATIONAL COUPLINGS; VIBRATIONAL MODES;

DENSITY FUNCTIONAL THEORY;

MOLECULES;

EID: 84859939819     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3702847     Document Type: Article

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