The DOI matches its Crossref record; 217 of the 217 references it cites were found in a registry or an index.
Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances
Open accessAbstract
This Perspective presents a personal overview of the current status of the theory of chemical kinetics and mechanisms for complex processes. We attempt to assess the status of the field for reactions in the gas phase, at gas-solid interfaces, in liquid solutions, in enzymes, and for protein folding. Some unifying concepts such as potential energy surfaces, free energy, master equations, and reaction coordinates occur in more than one area. We hope this Perspective will be useful for highlighting recent advances and for identifying important areas for future research.
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Cites
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Self-citationFrom Levinthal to pathways to funnels
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Self-citation
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Markov State Models: From an Art to a Science
Husic, B. E., & Pande, V. S. (2018) · Journal of the American Chemical Society · doi:10.1021/jacs.7b12191 · Cited by 886
Self-citationComputational electrochemistry: prediction of liquid-phase reduction potentials
Marenich, A. V., Ho, J., Coote, M. L., Cramer, C. J., & Truhlar, D. G. (2014) · Phys. Chem. Chem. Phys. · doi:10.1039/c4cp01572j · Cited by 508
Self-citationComputational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
Vogiatzis, K. D., Polynski, M. V., Kirkland, J. K., Townsend, J., Hashemi, A., Liu, C., & Pidko, E. A. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00361 · Cited by 423
Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps
Tiwary, P., Limongelli, V., Salvalaglio, M., & Parrinello, M. (2015) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1424461112 · Cited by 347
Zhang, L., Zhang, D., Wang, X., Yuan, C., Li, Y., Jia, X., Gao, X., Yen, H.-L., Cheung, P. P.-H., & Huang, X. (2021) · Physical Chemistry Chemical Physics · doi:10.1039/d0cp05948j · Cited by 52
Metadata
- Authors
- Klippenstein, S. J., Pande, V. S., & Truhlar, D. G.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-01-02
- Volume
- 136
- Issue
- 2
- Pages
- 528-546
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2321750218
- Cited by
- 263
- References
- 217
- FWCI
- 13.35
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Klippenstein, S. J., Pande, V. S., & Truhlar, D. G. (2014). Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances. Journal of the American Chemical Society. https://doi.org/10.1021/ja408723a
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