A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Formulation

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 3130-3135

  Okuno, Yoshishige ^a,b  

^a DAICEL CORPORATION   (Japan)

^b NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONS; KINETIC ENERGY; MATRIX ALGEBRA; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; TENSORS; VECTORS;

CURVILINEAR INTERNAL COORDINATES; QUASIRECTILINEAR VIBRATIONAL COORDINATES; REACTION COORDINATE; REACTION PATH DYNAMICS; REACTION PATH HAMILTONIAN; TAYLOR SERIES EXPANSION; ZERO ANGULAR MOMENTUM ASSUMPTION;

REACTION KINETICS;

EID: 0034702647     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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