Density functional theory study of the stability and vibrational spectra of the β-carotene isomers

Journal of Physical Chemistry A

Volumn 113, Issue 36, 2009, Pages 9899-9907

  Ceron Carrasco J P ^a   Bastida, A ^a   Zuniga J ^a   Requena, A ^a   Miguel, B ^b  

^a UNIVERSITY OF MURCIA   (Spain)

^b TECHNICAL UNIVERSITY OF CARTAGENA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ANHARMONICITIES; B3LYP/6-31G; CAROTENE ISOMERS; INFRARED AND RAMAN SPECTRA; NATURAL BOND ORBITAL; NORMAL MODES; OPTIMIZED GEOMETRIES; OVERALL FACTOR; POLYENE CHAINS; WIBERG BONDS;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; ORGANIC COMPOUNDS; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

ISOMERS;

BETA CAROTENE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; ISOMERISM; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

BETA CAROTENE; ISOMERISM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 69949174793     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9037446     Document Type: Article

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