The DOI matches its Crossref record; 31 of the 31 references it cites were found in a registry or an index.
Curve Crossing Formulation for Proton Transfer Reactions in Solution
Abstract
A Landau−Zener curve crossing formulation is developed for proton transfer rate constants over the range of proton coupling. This approach spans the weak coupling regime, where the transfer is a nonadiabatic proton tunneling, to the strong coupling regime, where at the reaction transition state the proton motion is a quantized vibration lying above the barrier in the proton coordinate. The theory requires that there is strong coupling of the proton transfer solute to the surrounding polar solvent and includes the influence of the vibrational motion of the heavy particles between which the proton transfers. Analytic formulas are given for the rate constants in various limits of the proton coupling strength and the vibrational frequency of the heavy particle motion.
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Citations
Cites
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Reaction-rate theory: fifty years after Kramers
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Proton transfer in solution: Molecular dynamics with quantum transitions
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Self-citationThe Tunnel Effect in Chemistry
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Electron Transfer Reactions in Condensed Phases
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Warshel, A. (1982) · The Journal of Physical Chemistry · doi:10.1021/j100209a016 · Cited by 662
Charge Transfer Processes in Condensed Media
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Tyburski, R., Liu, T., Glover, S. D., & Hammarström, L. (2021) · Journal of the American Chemical Society · doi:10.1021/jacs.0c09106 · Cited by 710
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Meyer, T. J., Huynh, M. H. V., & Thorp, H. H. (2007) · Angewandte Chemie International Edition · doi:10.1002/anie.200600917 · Cited by 552
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Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer
Warburton, R. E., Soudackov, A. V., & Hammes-Schiffer, S. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00929 · Cited by 322
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
Olsson, M. H. M., Parson, W. W., & Warshel, A. (2006) · Chemical Reviews · doi:10.1021/cr040427e · Cited by 289
Environmentally coupled hydrogen tunneling: Linking catalysis to dynamics
Knapp, M. J., & Klinman, J. P. (2002) · European Journal of Biochemistry · doi:10.1046/j.1432-1033.2002.03022.x · Cited by 281
Liu, Y., Yan, Y., Xing, T., & Shi, Q. (2021) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.1c02851 · Cited by 23
Xie, W., Xu, Y., Zhu, L., & Shi, Q. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4873135 · Cited by 18
Metadata
- Authors
- Borgis, D., & Hynes, J. T.
- Venue
- The Journal of Physical Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 1996-01-01
- Volume
- 100
- Issue
- 4
- Pages
- 1118-1128
- ISSN
- 0022-3654 (ISSN-L)
- 1541-5740
- OpenAlex
- W1970327813
- Cited by
- 267
- References
- 31
- FWCI
- 6.40
- Type
- journal article
- Language
- en
- Open access
- closed
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