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Molecular Kinetics in Condensed Phases [2020]
- 1
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The Langevin Equation and Stochastic Processes
- 29
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The Fokker–Planck Equation
- 41
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The Schrödinger Representation
- 49
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Discrete Systems
- 63
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Path Integrals
- 69
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Barrier Crossing
- 89
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Sampling Transition Paths
- 117
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The Rate of Conformational Change
- 133
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Zwanzig‐Caldeiga‐Leggett Model for Low‐Dimensional Dynamics
- 147
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Escape from a Potential Well in the Case of Dynamics Obeying the Generalized Langevin Equation
- 157
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Diffusive Dynamics on a Multidimensional Energy Landscape
- 173
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Quantum Effects in Chemical Kinetics
- 193
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Computer Simulations of Molecular Kinetics
- 203
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The Master Equation as a Model for Transitions Between Macrostates
- 213
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Direct Calculation of Rate Coefficients with Computer Simulations
- 223
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A Simple Numerical Example of Rate Calculations
- 233
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Rare Events and Reaction Coordinates
- 241
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Celling
- 255
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An Example of the Use of Cells
- 259
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Index
- i
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Front Matter