H-bonded and stacked dimers of pyrimidine and p-benzoquinone. A combined matrix isolation infrared and theoretical ab initio study

Journal of Physical Chemistry A

Volumn 101, Issue 39, 1997, Pages 7208-7216

  McCarthy, W ^a   Plokhotnichenko, A M ^b   Radchenko, E D ^b   Smets, J ^a,c   Smith, D M A ^a   Stepanian, S G ^a,b   Adamowicz, L ^a  

^a University of Arizona   (United States)

^b B VERKIN INSTITUTE FOR LOW TEMPERATURE PHYSICS AND ENGINEERING   (Ukraine)

^c UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CONFORMATIONS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; KETONES; MATHEMATICAL MODELS; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; MONOMERS;

BASIS SET SUPERPOSITION ERROR; BENZOQUINONE; HETERODIMERS; PYRIMIDINE;

MOLECULAR DYNAMICS;

EID: 0031237881     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971444t     Document Type: Article

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