Theoretical study and vibrational spectroscopy of two 5,6,7-trioxygenated coumarins

Journal of Molecular Structure

Volumn 843, Issue 1-3, 2007, Pages 57-65

  Franca, Carlos A ^a   González Baró, Ana C ^a   Pis Diez, Reinaldo ^a  

^a UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

Author keywords

Coumarins; DFT; IR spectra; Molecular dynamics simulations

Indexed keywords

DENSITY FUNCTIONAL THEORY; DISCRETE FOURIER TRANSFORMS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; VIBRATIONAL SPECTROSCOPY;

INTRAMOLECULAR HYDROGEN BONDS; MOLECULAR DYNAMICS SIMULATIONS; TRIOXYGENATED COUMARINS;

CRYSTALLINE MATERIALS;

EID: 34548597129     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.12.035     Document Type: Article

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