A computational study of conformational interconversions in 1,4-dithiacyclohexane (1,4-dithiane)

Journal of Computational Chemistry

Volumn 24, Issue 8, 2003, Pages 909-919

  Freeman, Fillmore ^a   Derek, Elika ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Chair twist energy difference; Conformational interconversion; Intrinsic reaction coordinate (IRC) calculation; Stereodynamics; Transition state

Indexed keywords

COMPUTATIONAL METHODS; CONFORMATIONS; FREE ENERGY; HYDROGEN BONDS; STEREOCHEMISTRY;

CONFORMATIONAL INTERCONVERSIONS;

PARAFFINS;

EID: 0038030932     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10187     Document Type: Article

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