Molecular structure and IR spectra of bromomethanes by DFT and post-Hartree-Fock MP2 and CCSD(T) calculations

Molecular Physics

Volumn 98, Issue 6, 2000, Pages 371-386

  Venkatraman, R ^a   Kwiatkowski, J S ^b,c   Bakalarski, G ^c,d   Leszczynski, J ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^c UNIVERSITY OF WARSAW   (Poland)

^d WARSAW UNIVERSITY OF LIFE SCIENCES   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE; CARBON; CHEMICAL BONDS; ELECTRONS; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

BROMOMETHANES; FULL FROZEN CORE OPTION; PARTIAL FROZEN CORE OPERATION; POST-HARTREE-FOCK METHODS; POTENTIAL ENERGY DISTRIBUTION ANALYSIS;

ORGANIC COMPOUNDS;

EID: 0011102064     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970009483302     Document Type: Article

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