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Classical transition state theory is exact if the transition state is unique

✍ Scribed by Pechukas, Philip; Pollak, Eli


Book ID
118136570
Publisher
American Institute of Physics
Year
1979
Tongue
English
Weight
805 KB
Volume
71
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


On the exactness of classical transition
✍ Erik K. Grimmelmann; Lawrence L. Lohr Jr. πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 409 KB

WC have appl~tl Pcchukas aEd Mclafterty'i tclt for the cxactnoss of classical transItion state theory (TST) to t[lc cnllrncar subsurface of Porter and Karplus' H3 hypcrsurface and have detcrmmcd that TS r is c\act to at lca~t o.0592131 cv above the saddle point energy.