Matrix-isolation FTIR studies and theoretical calculations of hydrogen-bonded complexes of imidazole. A comparison between experimental results and different calculation methods

Journal of Physical Chemistry A

Volumn 101, Issue 13, 1997, Pages 2397-2413

  Van Bael, Marlies K ^a   Smets, Johan ^a,b   Schoone, Kristien ^a   Houben, Linda ^a   McCarthy, William ^b   Adamowicz, Ludwik ^b   Nowak, Maciej J ^c   Maes, Guido ^a,d  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b University of Arizona   (United States)

^c INSTITUTE OF PHYSICS   (Poland)

^d FUND FOR SCIENTIFIC RESEARCH   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HYDROGEN BONDS; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY (DFT); IMIDAZOLE; MATRIX ISOLATION FOURIER TRANSFORM INFRARED SPECTROSCOPY; RESTRICTED HARTREE FOCK (RHF) METHOD;

NITROGEN COMPOUNDS;

EID: 0031101397     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963711l     Document Type: Review

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