Direct scaling of primitive valence force constants: An alternative approach to scaled quantum mechanical force fields

Journal of Physical Chemistry A

Volumn 102, Issue 8, 1998, Pages 1412-1424

  Baker, Jon ^a   Jarzecki, Andrzej A ^a,b   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

^b INDIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; MOLECULAR SPECTROSCOPY; QUANTUM THEORY;

PRIMITIVE VALENCE FORCE CONSTANTS; SCALED QUANTUM MECHANICAL (SQM) FORCE FIELDS;

MOLECULAR VIBRATIONS;

EID: 0032003674     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980038m     Document Type: Article

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