(Q55968150)

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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

scientific article published in 1996

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title

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 (English)

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main subject

density functional theory

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3

K. N. Houk

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author name string

E. Goldstein

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1

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Brett Beno

series ordinal

2

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language of work or name

English

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publication date

January 1996

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published in

Journal of the American Chemical Society

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volume

118

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issue

25

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page(s)

6036-6043

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Identifiers

DOI

10.1021/JA9601494

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(Q55968150)

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

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