Variational transition state theory without the minimum-energy path

• 13 October 1997
• journal article
• research article
• Published by Springer Nature in Theoretical Chemistry Accounts
• Vol. 97  (1-4) , 317-323
• https://doi.org/10.1007/s002140050267

Abstract

Keywords

• KEY WORDS: VARIATIONAL TRANSITION STATE THEORY
• REACTION PATH
• OPTIMIZATION OF DIVIDING SURFACE
• DYNAMICS
• FREE ENERGY OF ACTIVATION