Reaction-rate theory: fifty years after Kramers
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 …
of physics, chemistry, engineering, and biology. Fifty years after Kramers' seminal paper on …
Rate theories for biologists
HX Zhou - Quarterly reviews of biophysics, 2010 - cambridge.org
Some of the rate theories that are most useful for modeling biological processes are
reviewed. By delving into some of the details and subtleties in the development of the …
reviewed. By delving into some of the details and subtleties in the development of the …
Molecular model for aqueous ferrous–ferric electron transfer
We present a molecular model for studying the prototypical ferric–ferrous electron transfer
process in liquid water, and we discuss its structural implications. Treatment of the …
process in liquid water, and we discuss its structural implications. Treatment of the …
Dynamical systems: a unified colored-noise approximation
By use of an adiabatic elimination procedure and a time scaling t^= τ− 1/2 t, where τ denotes
the correlation time of colored noise ɛ (t), one arrives at a novel colored-noise …
the correlation time of colored noise ɛ (t), one arrives at a novel colored-noise …
Classical and modern methods in reaction rate theory
The calculationof chemical reaction rate constants is of importance to much of chemistry and
biology. Here we present our current understanding of the physical principles determining …
biology. Here we present our current understanding of the physical principles determining …
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 …
Starting from Arrhenius [Z. Phys. Chem. 4, 226 (1889)], we follow especially the formulation …
Theory of activated rate processes for arbitrary frequency dependent friction: Solution of the turnover problem
An analytical theory is formulated for the thermal (classical mechanical) rate of escape from
a metastable state coupled to a dissipative thermal environment. The working expressions …
a metastable state coupled to a dissipative thermal environment. The working expressions …
Derivation of the nonequilibrium generalized Langevin equation from a time-dependent many-body Hamiltonian
RR Netz - Physical Review E, 2024 - APS
It has become standard practice to describe systems that remain far from equilibrium even in
their steady state by Langevin equations with colored noise which is chosen independently …
their steady state by Langevin equations with colored noise which is chosen independently …
Viscoelastic subdiffusion: generalized Langevin equation approach
I Goychuk - Advances in Chemical Physics, 2012 - Wiley Online Library
Viscoelastic subdiffusion: generalized Langevin equation approach Page 195 VISCOELASTIC
SUBDIFFUSION: GENERALIZED LANGEVIN EQUATION APPROACH IGOR GOYCHUK …
SUBDIFFUSION: GENERALIZED LANGEVIN EQUATION APPROACH IGOR GOYCHUK …
Nonequilibrium solvation effects on reaction rates for model SN2 reactions in water
BJ Gertner, KR Wilson, JT Hynes - The Journal of Chemical Physics, 1989 - pubs.aip.org
Molecular dynamics (MD) simulations of the model SN2 reaction Cl−+ CH3Cl→ ClCH3+ Cl−
in water, and variants thereof, are presented. The resulting transmission coefficients κ, that …
in water, and variants thereof, are presented. The resulting transmission coefficients κ, that …