New approach for the correction of Ab initio molecular force fields in cartesian coordinates

International Journal of Quantum Chemistry

Volumn 109, Issue 1, 2009, Pages 28-33

  Kochikov, I V ^a   Kuramshina, G M ^a   Stepanova, A V ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Inverse problem; Molecular force field; Scale factors

Indexed keywords

INVERSE PROBLEMS; MOLECULAR SPECTROSCOPY; PAPER; QUANTUM CHEMISTRY;

AB INITIO; BIOLOGICAL MOLECULES; CARTESIAN COORDINATES; CARTESIANS; COMPLETE SYSTEMS; COMPLEX MOLECULES; FORCE CONSTANTS; INTERNAL COORDINATES; MOLECULAR FORCE FIELD; MOLECULAR FORCES; NEW APPROACHES; PRACTICAL IMPLEMENTATIONS; QUANTUM CHEMICALS; RELATED COMPOUNDS; SCALE FACTORS; SCALING PROCEDURES; SCALING SCHEMES; SCALING TECHNIQUES; SPECTRA CALCULATIONS; VIBRATIONAL FREQUENCIES;

MOLECULES;

EID: 58149217956     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21728     Document Type: Article

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