Isomerization dynamics

Park N S and Waldeck D FI 1989 Implications for multidimensional effects on isomerization dynamics photoisomerization study of 4,4 -dimethylstilbene in / -alkane solvents J. Chem. Phys. 91 943-52... 

Chandler D 1978 Statistical mechanics of isomerization dynamics in liquids and the transition state approximation J. Chem. Phys. 68 2959... 

Montgomery J A Jr, Chandler D and Berne B J 1979 Trajectory analysis of a kinetic theory for isomerization dynamics in condensed phases J. Chem. Phys. 70 4056... 

Rosenberg R O, Berne B J and Chandler D 1980 Isomerization dynamics in liquids by molecular dynamics Chem. Phys. Lett. 75 162... 

Iwata K, Ozawa R, Hamaguchi H (2002) Analysis of the solvent- and temperature-dependent Raman spectral changes of S1 trans-stilbene and the mechanism of the trans to cis isomerization dynamic polarization model of vibrational dephasing and the C=C double-bond rotation. J Phys Chem A 106 3614—3620... 

Riedel D, Cranney M, Martin M, Guillory R, Dujardin G, Dubois M, Sautet P (2009) Surface-isomerization dynamics of trans-stilbene molecule adsorbed on Si(100)-2xl. J Am ChemSoc 131 5414... 

XVm. Isomerization Dynamics in Viscous Liquids A Study of the Viscosity Effects via MCT... 

K. Takatsuka, Temperature, Geometry, and Variational Stmcture in Microcanonical Ensemble for Stmctural Isomerization Dynamics of Clusters A Multichannel Chemical Reaction Beyond the Transition-State Concept, Adv. Chem. Phys. Part B 130, 25 (2005). 

TEMPERATURE, GEOMETRY, AND VARIATIONAL STRUCTURE IN MICROCANONICAL ENSEMBLE FOR STRUCTURAL ISOMERIZATION DYNAMICS OF CLUSTERS A MULTICHANNEL CHEMICAL REACTION BEYOND THE TRANSITION-STATE CONCEPT... 

A geometry that can actually materialize such a memory-losing dynamics is studied in Section IV. We here propose a notion of inter-basin mixing that is responsible for the Markov-type stochastic appearance of molecular structures in the above memory-losing isomerization dynamics. An extension of the Liapunov exponent to quantify the time scale to reach inter-basin mixing is also proposed [10]. 

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... 

This brings us back to Eq. (9) with the multichannel extension. The role of the relative frequency fa- b defined by Amar and Berry [26] in isomerization dynamics has become clearer now. 

This temperature is absolutely suitable to measure a direction and extent of heat transfer between two contacting subsystems [32]. (See also Appendix C.) However, as stated above, averaging of the kinetic energy can lose a very important piece of information [31] in an attempt to characterize multiple-basin dynamics on a single molecular basis such as our isomerization dynamics. 

Ergodicity of isomerization dynamics has been evidenced numerically [19] in the sense that an accumulated residence time (tia)) for trajectories to stay in a basin a is proportional to the volume of phase space (Vr("1) assigned to the corresponding basin... 

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