A test of transition state theory against exact quantum mechanical calculations1 1 This work was supported in part by the United States Atomic Energy Commission, Report Code No. CALT-767P4-74.

D. G. Truhlar, A. Kuppermann

Research output: Contribution to journalArticlepeer-review

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Abstract

Transition state theory is tested against accurate rate constants for the collinear H + H2 reaction on a realistic potential energy surface. For this reaction the theory is fairly accurate at high temperatures but is very inaccurate at low temperatures.

Original languageEnglish (US)
Pages (from-to)269-272
Number of pages4
JournalChemical Physics Letters
Volume9
Issue number3
DOIs
StatePublished - May 1 1971

Bibliographical note

Funding Information:
*-This work was supporttid in part by the United States’ Atomic Energy Co&n&&on, Report Code No. CALT-76?P4-74. **’ Co&‘&&ion No. 4184.

Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.

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