An evaluation of harmonic vibrational frequency scale factors

Journal of Physical Chemistry A

Volumn 111, Issue 45, 2007, Pages 11683-11700

  Merrick, Jeffrey P ^a   Moran, Damian ^a,b   Radom, Leo ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

^b MACQUARIE UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ENTHALPY; ENTROPY; HARMONIC ANALYSIS; VIBRATIONAL SPECTRA;

HARMONIC FREQUENCIES; VIBRATIONAL ENERGIES; ZERO-POINT VIBRATIONAL ENERGIES (ZPVE);

MOLECULAR DYNAMICS;

EID: 36649020243     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp073974n     Document Type: Article

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