DFT studies of long-chain FAMEs: Theoretical justification for determining chain length and unsaturation from experimental Raman spectra

Journal of Molecular Structure: THEOCHEM

Volumn 626, Issue 1-3, 2003, Pages 27-45

  Oakes, Roma E ^a   Beattie, J Renwick ^a   Moss, Bruce W ^a   Bell, Steven E J ^a  

^a QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

Density functional theory; Fats; Fatty acid methyl esters; Lipids; Oils; Raman; Unsaturation

Indexed keywords

FATTY ACID ESTER;

ARTICLE; CALCULATION; CALIBRATION; CHEMICAL STRUCTURE; CONFORMATION; DENSITY; ENERGY; MEASUREMENT; RAMAN SPECTROMETRY; REPRODUCIBILITY; VIBRATION;

EID: 0038814174     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00670-X     Document Type: Article

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