First-principle calculation of reduced masses in vibrational analysis using generalized internal coordinates: Some crucial aspects and examples

Journal of Chemical Information and Modeling

Volumn 47, Issue 3, 2007, Pages 840-850

  Stare, Jernej ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

HAMILTONIANS; KINETIC ENERGY; OPTIMIZATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

INTERNAL COORDINATES; PARTIAL GEOMETRY OPTIMIZATION; SOPHISTICATED RELATIONS; WILSON G-MATRIX CONCEPT;

VIBRATION ANALYSIS;

EID: 34250888215     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci6005245     Document Type: Article

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