Experimental and computational studies of the structure and vibrational spectra of 2-[5,5-dimethyl-3-(2-phenyl-vinil)-cyclohex-2-enylidene]-malononitrile

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 59, Issue 14, 2003, Pages 3325-3335

  Kolev, Tsonko M ^a   Yancheva, Denitsa Y ^a   Stamboliyska, Bistra A ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Band assignment; Density functional theory; Electronic structure; Force field; Non linear optics; Vibrational spectra

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; FREQUENCIES; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; NONLINEAR OPTICS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; SYNTHESIS (CHEMICAL);

BOND LENGTH ALTERNATIONS (BLA);

AROMATIC COMPOUNDS;

DICYANMETHANE; NITRILE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY;

COMPUTER SIMULATION; MODELS, MOLECULAR; NITRILES; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 0242303650     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00140-9     Document Type: Article

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