Molecular Phase Space Nonstatistical Effects in Reaction Dynamics

Visualizing Molecular Phase Space Nonstatistical Effects in Reaction Dynamics 

Department of Chemistry, The Cooper Union for the Advancement of Science and Art, Albert Nerken School of Engineering, SI Astor Place, New York, New York 10003 

We will make a reasonable (albeit brief) attempt to review the nonlinear dynamics literature, with an emphasis on some aspects that are relevant to microscopic reaction dynamics. However, our main goals are (1) to convey to the interested nonspecialist some of the interesting ideas that have arisen 

Reviews in Computational Chemistry, Volume 10 Kenny B. Lipkowitz and Donald B. Boyd, Editors VCH Publishers, Inc. New York, 1997 

In this spirit, we will also briefly describe the basis for some of the microscopic kinetic theories of unimolecular reaction rates that have arisen from nonlinear dynamics. Unlike the classical versions of Rice-Ramsperger-Kassel-Marcus (RRKM) theory and transition state theory, these theories explicitly take into account nonstatistical dynamical effects such as barrier recrossing, quasiperiodic trapping (both of which generally slow down the reaction rate), and other interesting effects. The implications for quantum dynamics are currently an active area of investigation. 

---

Robert Q. Topper, Visualizing Molecular Phase Space Nonstatistical Effects in Reaction Dynamics. 

R. Q. Topper, Visualizing Molecular Phase Space Nonstatistical Effects in Reaction Dynamics, Rev. Comput. Chem. 1997, 10, 101. 

---