January 9, 2007
Book Chapter

Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

Abstract

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.

Revised: April 7, 2011 | Published: January 9, 2007

Citation

Truhlar D.G., and B.C. Garrett. 2007. Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions. In Hydrogen-Transfer Reactions, edited by JT Hynes, JP Klinman, H-H Limbach, RL Schowen. 833-874. Weinheim:WILEY-VCH. PNNL-SA-45814.