An approach is outlined for including solvent effects in variational transition state theory calculations of rate constants for activated chemical reactions in solution.
Published: March 13, 2021
Citation
Garrett B.C., and G.K. Schenter. 1994.Variational Transition State Theory for Activated Chemical Reactions in Solution.International Reviews in Physical Chemistry 13, no. 2:263-289.PNNL-SA-23791.doi:10.1080/01442359409353296