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Journal of Molecular Structure: THEOCHEM

Volumn 577, Issue 1, 2002, Pages 43-54

A computational study of conformers of 1,3-dioxane (1,3-dioxacyclohexane)

(2) Freeman, Fillmore a Do, Katie Uyen a

a UNIVERSITY OF CALIFORNIA (United States)

Author keywords

Ab initio molecular orbital theory; Density functional theory (DFT); Hyperconjugative stereoelectronic interaction; Intrinsic reaction co ordinate (IRC); Transition state

Indexed keywords

1,3 DIOXANE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; ENTHALPY; ENTROPY;

EID: 0037074273 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00603-0 Document Type: Article

Times cited : (40)

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