On the exactness of classical transition
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Erik K. Grimmelmann; Lawrence L. Lohr Jr.
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Article
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1977
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Elsevier Science
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English
β 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.