Jump to content

Variational transition-state theory

From Wikipedia, the free encyclopedia
This is an old revision of this page, as edited by Drroseville (talk | contribs) at 22:16, 20 October 2008. The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Variational Transition State Theory is a modification of conventional transition state theory in which the position of the dividing surface in the potential-energy surface is varied. The rate is calculated with the surface at various positions, and the lowest rate calculated is taken to be closest to the truth. [1]


References

IUPAC Compendium of Chemical Terminology 2nd Edition (1997)