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Classical transition state theory for the ion—linear quadrupole capture

✍ Scribed by Jan Turulski; Barbara Pezler; Jan Niedzielski


Book ID
107942734
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
608 KB
Volume
166
Category
Article
ISSN
0301-0104

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On the exactness of classical transition
✍ Erik K. Grimmelmann; Lawrence L. Lohr Jr. 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 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.