A computational study of conformations and conformers of 1,3-dithiane (1,3-dithiacyclohexane)

Journal of Physical Chemistry A

Volumn 107, Issue 16, 2003, Pages 2908-2918

  Freeman, Fillmore ^a   Le, Kelly Thuy ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANOMERIC EFFECTS; COMFORMATIONAL FREE ENERGY; MOLECULAR ORBITAL THEORY; TRANSITION STATE;

CHEMICAL REACTIONS; COMPUTATIONAL GEOMETRY; COMPUTATIONAL METHODS; FREE ENERGY; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

MOLECULAR DYNAMICS;

EID: 0242562725     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0138633     Document Type: Article

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