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Journal of Molecular Structure: THEOCHEM

Volumn 587, Issue 1-3, 2002, Pages 159-169

Theoretical study of the influence of phosphonate substituents on Diels-Alder reactions

(3) Robiette, R a Marchand Brynaert, J a Peeters, D a

a UNIVERSITÉ CATHOLIQUE DE LOUVAIN (Belgium)

Author keywords

Ab initio calculations; Cycloaddition reaction; Energy barriers; Phosphonate substituents; Transition state

Indexed keywords

1,3 BUTADIENE; ETHYLENE; PHOSPHONIC ACID DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CYCLOADDITION; ENERGY; REACTION ANALYSIS; THEORY;

EID: 0037025231 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00113-6 Document Type: Article

Times cited : (14)

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