Determination of absolute configuration using density functional theory calculations of optical rotation and electronic circular dichroism: Chiral alkenes

Journal of Organic Chemistry

Volumn 71, Issue 16, 2006, Pages 6074-6098

  McCann, D M ^a   Stephens, P J ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR ORIENTATION; OPTICAL ROTATION; PROBABILITY DENSITY FUNCTION; SODIUM; SPECTRUM ANALYSIS; STEREOCHEMISTRY;

DENSITY FUNCTIONAL THEORY; ELECTRONIC CIRCULAR DICHROISM (ECD); TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

OLEFINS;

3 TERT BUTYLCYCLOHEXENE; 4 CARENE; ALKENE; UNCLASSIFIED DRUG;

ABSOLUTE CONFIGURATION; ACCURACY; ARTICLE; ATOM; CHIRAL CHROMATOGRAPHY; CHIRALITY; CIRCULAR DICHROISM; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; OPTICAL ROTATION; PREDICTION; RELIABILITY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANS ISOMER;

EID: 33746925274     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo060755+     Document Type: Article

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