In this article, we propose a new approximation for incorporating tunneling into variational transition state theory when the critical degrees of freedom are coupled to a bath.
Published: March 16, 2021
Citation
Truhlar D.G., Y.P. Liu, G.K. Schenter, and B.C. Garrett. 1994.Tunneling in the Presence of a Bath: A Generalized Transition State Theory Approach.Journal of Physical Chemistry 98, no. 34:8396-8405.PNNL-SA-24547.doi:10.1021/j100085a021