论文信息 - Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

We review variational transition state theory with optimized multidimensional tunneling as a well validated method for calculating rate constants of reactions with significant quantum mechanical effects, such as proton, hydrogen atom, and hydride transfer reactions.

B. C. Garrett | D. Truhlar | B. Garrett

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