DOI: 10.1021/acs.jctc.6b00859. Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions

Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions

10.1021/acs.jctc.6b00859

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Dybeck, E. C., Plaisance, C. P., & Neurock, M. (2017). Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions. Journal of Chemical Theory and Computation, 13(4), 1525â1538.

Authors 3

Eric C. Dybeck (first)
Craig P. Plaisance (additional)
Matthew Neurock (additional)

References 67 Referenced 70

{'volume-title': 'Computer Simulation of Liquids', 'year': '1987', 'author': 'Allen M. P.', 'key': 'ref1/cit1'} / Computer Simulation of Liquids by Allen M. P. (1987)
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Dates

Type	When
Created	8 years, 6 months ago (Feb. 14, 2017, 12:48 p.m.)
Deposited	2 years, 4 months ago (April 16, 2023, 11:09 a.m.)
Indexed	1 month, 1 week ago (July 25, 2025, 6:13 a.m.)
Issued	8 years, 5 months ago (March 28, 2017)
Published	8 years, 5 months ago (March 28, 2017)
Published Online	8 years, 5 months ago (March 28, 2017)
Published Print	8 years, 4 months ago (April 11, 2017)

Funders 1

BP 10.13039/100004364
Region: Europe
gov (For-profit companies (industry))
Labels7
1. BP p.l.c.
2. The British Petroleum Company p.l.c
3. BP Amoco p.l.c.
4. BP United Kingdom
5. Anglo-Persian Oil Company
6. Anglo-Iranian Oil Company
7. The British Petroleum Company Limited

BibTeX

@article{Dybeck_2017, title={Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions}, volume={13}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/acs.jctc.6b00859}, DOI={10.1021/acs.jctc.6b00859}, number={4}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Dybeck, Eric C. and Plaisance, Craig P. and Neurock, Matthew}, year={2017}, month=mar, pages={1525–1538} }

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