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Reaction Path Models for Polyatomic Reaction Dynamics-- from Transition State Theory to Path Integrals

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Book cover The Theory of Chemical Reaction Dynamics

Part of the book series: NATO ASI Series ((ASIC,volume 170))

Abstract

The reaction path Hamiltonian model for the dynamics of general polyatomic systems is reviewed. Various dynamical treatments based on it are discussed, from the simplest statistical approximations (e.g., transition state theory, RRKM, etc.) to rigorous path integral computational approaches that can be applied to chemical reactions in polyatomic systems. Examples are presented which illustrate this “menu” of dynamical possibilities.

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References

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Authors and Affiliations

  1. Department of Chemistry, University of California, Berkeley, California, 94720, USA

    William H. Miller

  2. Materials and Molecular Research Division of the Lawrence, Berkeley Laboratory, Berkeley, California, 94720, USA

    William H. Miller

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  1. William H. Miller
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Editor information

Editors and Affiliations

  1. University Chemical Laboratory, University of Cambridge, UK

    D. C. Clary

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© 1986 D. Reidel Publishing Company

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Miller, W.H. (1986). Reaction Path Models for Polyatomic Reaction Dynamics-- from Transition State Theory to Path Integrals. In: Clary, D.C. (eds) The Theory of Chemical Reaction Dynamics. NATO ASI Series, vol 170. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4618-7_2

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  • DOI: https://doi.org/10.1007/978-94-009-4618-7_2

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-8552-6

  • Online ISBN: 978-94-009-4618-7

  • eBook Packages: Springer Book Archive

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