Algorithm for normal mode analysis with general internal coordinates

Journal of Computational Chemistry

Volumn 24, Issue 7, 2003, Pages 826-841

  Kamiya, Kenshu ^a   Sugawara, Yoko ^a   Umeyama, Hideaki ^a  

^a KITASATO UNIVERSITY   (Japan)

Author keywords

Hessian; Internal coordinates; Normal mode analysis

Indexed keywords

ALGORITHMS; BIOLOGICAL MATERIALS; KINETIC ENERGY; MACROMOLECULES; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; NUMERICAL ANALYSIS; POTENTIAL ENERGY; QUANTUM THEORY;

BIOLOGICAL MACROMOLECULES; INTERMOLECULAR TRANSLATION; INTERNAL COORDINATES; NORMAL MODE ANALYSIS; TRANSITION STATE;

MOLECULAR VIBRATIONS;

EID: 0038673383     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10247     Document Type: Article

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