Ab initio prediction of vibrational absorption and circular dichroism spectra of chiral natural products using density functional theory: α-Pinene

Journal of Physical Chemistry A

Volumn 101, Issue 51, 1997, Pages 9912-9924

  Devlin, F J ^a   Stephens, P J ^a   Cheeseman, J R ^b   Frisch, M J ^b  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b Lorentzian Incorporated   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CALCULATIONS; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; SET THEORY;

PINENE; VIBRATIONAL CIRCULAR DICHROISM SPECTRA; VIBRATIONAL UNPOLARIZED ABSORPTION SPECTRA;

SPECTROSCOPY;

EID: 0031372043     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971905a     Document Type: Article

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