DFT and experimental studies of the structure and vibrational spectra of curcumin

International Journal of Quantum Chemistry

Volumn 102, Issue 6, 2005, Pages 1069-1079

  Kolev, Tsonko M ^a   Velcheva, Evelina A ^a   Stamboliyska, Bistra A ^a   Spiteller, Michael ^b  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

^b TU DORTMUND UNIVERSITY   (Germany)

Author keywords

Density functional theory; Structure, band assignment; Vibrational spectra

Indexed keywords

BAND STRUCTURE; COMPUTATIONAL METHODS; DYES; ENZYMES; FLAVORS; FLUORESCENCE; ISOMERS; MEDICINE; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; POTENTIAL ENERGY; X RAY DIFFRACTION ANALYSIS;

BAND ASSIGNMENT; CURCUMIN; SINGLE-POINT CALCULATIONS; VIBRATIONAL SPECTRA;

PROBABILITY DENSITY FUNCTION;

EID: 17644413797     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20469     Document Type: Article

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