Density functional theory prediction of the relative energies and isotope effects for the concerted and stepwise mechanisms of the Diels-Alder reaction of butadiene and ethylene

Journal of the American Chemical Society

Volumn 118, Issue 25, 1996, Pages 6036-6043

  Goldstein, E ^b   Beno, Brett ^a   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b CALIFORNIA STATE POLYTECHNIC UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKENE DERIVATIVE;

ARTICLE; DRUG SYNTHESIS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; REACTION ANALYSIS; THEORY;

EID: 0030018945     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9601494     Document Type: Article

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