Determination of Absolute Configuration Using Concerted Ab Initio DFT Calculations of Electronic Circular Dichroism and Optical Rotation: Bicyclo[3.3.1]nonane Diones

Journal of Organic Chemistry

Volumn 69, Issue 6, 2004, Pages 1948-1958

  Stephens, P J ^a   McCann, D M ^a   Butkus, E ^b   Stoncius S ^b   Cheeseman, J R ^c   Frisch, M J ^c  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b VILNIUS UNIVERSITY   (Lithuania)

^c GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; OPTICAL ROTATION; PROBABILITY DENSITY FUNCTION;

CIRCULAR DICHROISM;

KETONES;

BICYCLO[3.3.1]NONANEDIONE DERIVATIVE; NONANOIC ACID; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHIRALITY; CIRCULAR DICHROISM; DENSITY FUNCTIONAL THEORY; ENANTIOMER; MOLECULAR DYNAMICS; OPTICAL ROTATION; PROTON NUCLEAR MAGNETIC RESONANCE; SPECTROSCOPY; TIMED DRUG RELEASE;

EID: 1642275595     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0357061     Document Type: Article

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