Ab initio and improved empirical potentials for the calculation of the anharmonic vibrational states and intramolecular mode coupling of N-methylacetamide

Journal of Physical Chemistry A

Volumn 106, Issue 37, 2002, Pages 8696-8707

  Gregurick, Susan K ^a   Chaban, Galina M ^b   Gerber, Benny ^c,d  

^a UNIVERSITY OF MARYLAND BALTIMORE COUNTY   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^d UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; LOW TEMPERATURE EFFECTS; MOLECULAR VIBRATIONS; NITROGEN COMPOUNDS; POTENTIAL ENERGY;

ANHARMONIC VIBRATIONAL STATES;

MOLECULAR DYNAMICS;

EID: 0037136808     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp025633+     Document Type: Article

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