๐”– Bobbio Scriptorium
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Quantum transition state theory

โœ Scribed by Francis J. McLafferty; Philip Pechukas


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
386 KB
Volume
27
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


A test of transition state theory agains
โœ D.G. Truhlar; A. Kuppermann ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 359 KB

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.

On nonadiabatic transition state theory
โœ Francis J. McLafferty; Thomas F. George ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 559 KB

A nonseparable semiclassical transition state approximation for reactions involving more than one eiectronic surface is rugestcd. The single surface formulation in terms of quasiprobabi!ity distributions used by Miller is discussed along with 3 sepxable semiclassical approximation for the nonadhbati

The stochastic theory and the transition
โœ S.G. Christov ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 291 KB

The relations between the stochastic and transition-state theories are reconsidered on the basis of a harmonic oscillator model. It is shown from the physical point of view that both theories are not equivalent.

Transition state theory with Tsallis sta
โœ Wolfgang Quapp; Alraune Zech ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 229 KB

## Abstract We discuss the rate of an elementary chemical reaction. We use the reaction path and especially its saddle point on the potential energy surface. The reaction path connects reactant and product of a reaction over the transition state (TS). Usually, the TS is assumed near or at the singl