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Calculated activation and reaction energies for the cycloaddition reactions.

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posted on 2015-04-08, 03:07 authored by Evgeniy G. Gordeev, Valentine P. Ananikov

Calculated activation and reaction energies (B3LYP/6-311+G(d) level, kcal/mol) for the cycloaddition reactions (see Fig. 2).

Calculated activation and reaction energies for the cycloaddition reactions.

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    calculationComputational StudyActivation EnergyCycloadditiontransition statemodel reactionmodel systempathwaypmB 3LYP O 3LYP M 062Xrate enhancement

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