Abstract
A method that locates transition state structures between homologous reactions and, with the use of the thermodynamic cycle-perturbation technique, determines the relative free energy of activation between the transition states is presented. A simple model system which displays the problem of finding condensed phase transition states is used to illustrate the method.
Original language | English (US) |
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Pages (from-to) | 83-87 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 141 |
Issue number | 1-2 |
DOIs | |
State | Published - Oct 30 1987 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry