Perturbation theory and dynamic reaction path analysis of intramolecular vibration mixing: An application to the case of H2O

Journal of Chemical Physics

Volumn 104, Issue 16, 1996, Pages 6081-6088

  Taketsugu, Tetsuya ^a   Hirano, Tsuneo ^b  

^a UNIVERSITY OF TOKYO   (Japan)

^b OCHANOMIZU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIFFERENTIATION (CALCULUS); EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ENERGY TRANSFER; EQUATIONS OF MOTION; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; PHASE SPACE METHODS; RELAXATION PROCESSES; WATER;

ANHARMONICITY; CUBIC FORCE CONSTANTS; DYNAMIC REACTION PATH CALCULATIONS; INTRAMOLECULAR VIBRATION MIXING; KINETIC ENERGY; MOLECULAR ORBITAL METHODS; POTENTIAL ENERGY; VIBRATION MAPPING;

MOLECULAR VIBRATIONS;

EID: 0030126442     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471275     Document Type: Article

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