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Advances in Chemical Physics Vol. 130 - Part B: Geometrical by Mikito Toda, Tamiki Komatsuzaki, Tetsuro Konishi, Stephen

By Mikito Toda, Tamiki Komatsuzaki, Tetsuro Konishi, Stephen Berry

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Extra info for Advances in Chemical Physics Vol. 130 - Part B: Geometrical Structures of Phase Space In Multi-dimensional Chaos: Applications To Chemical Reaction Dynamics In Complex Systems

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71 K. The trajectories from top to bottom in each figure correspond to 256, 512, 1024, 2048, 4096, and 8192 steps. Only at the energy of part c does two-phase equilibrium occur. [Reprinted with permission from C. Amitrano and R. S. Berry, Phys. Rev. E 47, 3158 (1993). ] specific challenge, recognized by the people whose work has just been described, was finding a way to transform the representation to a form that would separate the reaction coordinate from all the others in a way that would make it possible to recognize and study the kind of regularity that the threebody and four-body systems show.

An extension of the Liapunov exponent to quantify the time scale to reach inter-basin mixing is also proposed [10]. 3. It turns out that the average lifetime, the key quantity to characterize the isomerization dynamics of a liquid-droplet cluster, satisfies an Arrhenius-like exponential law with what we call microcanonical temperature (Section V). This quantity has been introduced to characterize a variational structure of a 28 kazuo takatsuka phase-space distribution on a constant energy plane.

Mol. Struct. (Theochem) 506, 55 (2000). 21. T. Komatsuzaki and R. S. Berry, J. Chem. Phys. 115, 4105 (2001). CHAPTER 11 TEMPERATURE, GEOMETRY, AND VARIATIONAL STRUCTURE IN MICROCANONICAL ENSEMBLE FOR STRUCTURAL ISOMERIZATION DYNAMICS OF CLUSTERS: A MULTICHANNEL CHEMICAL REACTION BEYOND THE TRANSITION-STATE CONCEPT KAZUO TAKATSUKA Department of Basic Science, Graduate School of Arts and Sciences, University of Tokyo, Komaba, 153-8902, Tokyo, Japan CONTENTS I. Introduction II. Isomerization on Multi-Basin Potential A.

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