ArticleThe journal of physical chemistry. B2013
Diffusion along the splitting/commitment probability reaction coordinate.
Article in The journal of physical chemistry. B, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
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Who cites it
26 citing papers in PubMed.
- Following the Committor Flow: A Data-Driven Discovery of Transition Pathways.Journal of chemical theory and computation · 2026Article
- An Exact Multiple-Time-Step Variational Formulation for the Committor and the Transition Rate.The journal of physical chemistry. B · 2026Article
- Nonparametric Determination of the Committor in Multimolecular Systems.Journal of chemical theory and computation · 2025Article
- Reaction Coordinates Are Optimal Channels of Energy Flow.Annual review of physical chemistry · 2025Review
- Enhanced sampling of protein conformational changes via true reaction coordinates from energy relaxation.Nature communications · 2025Article
- Statistical Mechanical Theories of Membrane Permeability.The journal of physical chemistry. B · 2024Article
- How is Membrane Permeation of Small Ionizable Molecules Affected by Protonation Kinetics?The journal of physical chemistry. B · 2024Article
- Discovering Reaction Pathways, Slow Variables, and Committor Probabilities with Machine Learning.Journal of chemical theory and computation · 2023Article
- Committor-Consistent Variational String Method.The journal of physical chemistry letters · 2022Article
- Transition rate theory, spectral analysis, and reactive paths.The Journal of chemical physics · 2022Article
- Mechanism for the rare fluctuation that powers protein conformational change.The Journal of chemical physics · 2022Article
- On distributions of barrier crossing times as observed in single-molecule studies of biomolecules.Biophysical reports · 2021Article
- String Method with Swarms-of-Trajectories, Mean Drifts, Lag Time, and Committor.The journal of physical chemistry. A · 2021Article
- Diffusive barrier crossing rates from variationally determined eigenvalues.The Journal of chemical physics · 2021Article
- A Minimal, Adaptive Binning Scheme for Weighted Ensemble Simulations.The journal of physical chemistry. A · 2021Article
- Microcanonical coarse-graining of the kinetic Ising model.The Journal of chemical physics · 2020Article
- Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski picture.The Journal of chemical physics · 2019Article
- Committors, first-passage times, fluxes, Markov states, milestones, and all that.The Journal of chemical physics · 2019Article
- Theory of Diffusion-Influenced Reaction Networks.The journal of physical chemistry. B · 2018Article
- Communication: Coordinate-dependent diffusivity from single molecule trajectories.The Journal of chemical physics · 2017Article
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2 authors.
Funding
Abstract
The splitting or commitment probabilities of states in the region of configuration space that separates reactants and products play an important role in the theory of chemical reactions. Assuming that the splitting probability changes more slowly than any other coordinate, we project multidimensional diffusive dynamics onto it. The resulting one-dimensional diffusion equation is not exact because the assumed separation of time scales does not hold in general. Nevertheless, this equation has the remarkable property that it always predicts the exact value of the number of transitions between reactants and products per unit time at equilibrium and hence the exact reaction rate. In the special case of two deep basins separated by a harmonic saddle, this equation is equivalent to the one that describes diffusion along a coordinate perpendicular to the transition state, defined as the surface starting from which reactants and products are reached with equal probability.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.