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A test of transition state theory against exact quantum mechanical calculations

✍ Scribed by D.G. Truhlar; A. Kuppermann

Publisher: Elsevier Science
Year: 1971
Tongue: English
Weight: 359 KB
Volume: 9
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(71)85049-2

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✦ Synopsis

Transition stati theory is tested against accurate rate constants for the colLLaear H + Ef P reaction oa a realistic potential energy surface. For this reaction the theory is fafrfy accurate at higti'temperatures but is very inaccurate at low temperatures.

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