Anharmonic force fields and thermodynamic functions using density functional theory

Molecular Physics

Volumn 103, Issue 6-8, 2005, Pages 863-876

  Boese, A Daniel ^a   Klopper, Wim ^b   Martin, Jan M L ^c  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF KARLSRUHE   (Germany)

^c WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

COST EFFECTIVENESS; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

ANHARMONICITY; COUPLING CONSTANTS; QUARTIC FORCE FIELDS;

HARMONIC ANALYSIS;

EID: 24644457467     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970512331339369     Document Type: Article

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