Reaction-rate theory: fifty years after Kramers

P Hänggi, P Talkner, M Borkovec - Reviews of modern physics, 1990 - APS
The calculation of rate coefficients is a discipline of nonlinear science of importance to much
of physics, chemistry, engineering, and biology. Fifty years after Kramers' seminal paper on …

Theoretical insights into photoinduced charge transfer and catalysis at oxide interfaces

AV Akimov, AJ Neukirch, OV Prezhdo - Chemical reviews, 2013 - ACS Publications
As the world's population increases and substantial industrial growth continues, the energy
demands of society increase rapidly. Although the earth's oil, natural gas, and coal deposits …

Quantum effects in chemical reactions under polaritonic vibrational strong coupling

PY Yang, J Cao - The Journal of Physical Chemistry Letters, 2021 - ACS Publications
The electromagnetic field in an optical cavity can dramatically modify and even control
chemical reactivity via vibrational strong coupling (VSC). Since the typical vibration and …

Current status of transition-state theory

DG Truhlar, BC Garrett… - The Journal of physical …, 1996 - ACS Publications
We present an overview of the current status of transition-state theory and its
generalizations. We emphasize (i) recent improvements in available methodology for …

Reaction rate theory: What it was, where is it today, and where is it going?

E Pollak, P Talkner - Chaos: An Interdisciplinary Journal of Nonlinear …, 2005 - pubs.aip.org
A brief history is presented, outlining the development of rate theory during the past century.
Starting from Arrhenius [Z. Phys. Chem. 4, 226 (1889)], we follow especially the formulation …

Kramers problem in periodic potentials: Jump rate and jump lengths

R Ferrando, R Spadacini, GE Tommei - Physical Review E, 1993 - APS
The Kramers problem in periodic potentials is solved separating the intrawell and interwell
dynamics. Both the jump rate and the probability distribution of the jump lengths are …

Transition state dynamics and relaxation processes in solutions: a frontier of physical chemistry

GA Voth, RM Hochstrasser - The Journal of Physical Chemistry, 1996 - ACS Publications
The theoretical framework for describing solvent effects on solution phase reactions is
summarized. When possible, the results are related to experiments involving geometric …

[图书][B] Brownian dynamics at boundaries and interfaces

Z Schuss - 2015 - Springer
Brownian dynamics serve as mathematical models for the diffusive motion of microscopic
particles of various shapes in gaseous, liquid, or solid environments. The renewed interest …

Solvent Effects in Nonadiabatic Electron‐Transfer Reactions: Theoretical Aspects

AV Barzykin, PA Frantsuzov, K Seki… - Advances in Chemical …, 2002 - Wiley Online Library
In this chapter our main emphasis is on homogeneous solutions. Biological applications are
mentioned briefly. After summarizing the Golden Rule results, we focus on the effects of …

Feynman path integral formulation of quantum mechanical transition-state theory

GA Voth - The Journal of Physical Chemistry, 1993 - ACS Publications
A Feynman path integral formulationof quantum mechanical transition-state theory is
reviewed. The theory retains many of the appealing aspects of classical transition-state …