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Molecular Kinetics in Condensed Phases [2020]

1
The Langevin Equation and Stochastic Processes
29
The Fokker–Planck Equation
41
The Schrödinger Representation
49
Discrete Systems
63
Path Integrals
69
Barrier Crossing
89
Sampling Transition Paths
117
The Rate of Conformational Change
133
Zwanzig‐Caldeiga‐Leggett Model for Low‐Dimensional Dynamics
147
Escape from a Potential Well in the Case of Dynamics Obeying the Generalized Langevin Equation
157
Diffusive Dynamics on a Multidimensional Energy Landscape
173
Quantum Effects in Chemical Kinetics
193
Computer Simulations of Molecular Kinetics
203
The Master Equation as a Model for Transitions Between Macrostates
213
Direct Calculation of Rate Coefficients with Computer Simulations
223
A Simple Numerical Example of Rate Calculations
233
Rare Events and Reaction Coordinates
241
Celling
255
An Example of the Use of Cells
259
Index
i
Front Matter
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