DOI: 10.1021/ct4009624. Reaction Path Force Matching: A New Strategy of Fitting Specific Reaction Parameters for Semiempirical Methods in Combined QM/MM Simulations

Reaction Path Force Matching: A New Strategy of Fitting Specific Reaction Parameters for Semiempirical Methods in Combined QM/MM Simulations

10.1021/ct4009624

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Zhou, Y., & Pu, J. (2014). Reaction Path Force Matching: A New Strategy of Fitting Specific Reaction Parameters for Semiempirical Methods in Combined QM/MM Simulations. Journal of Chemical Theory and Computation, 10(8), 3038â3054.

Authors 2

Yan Zhou (first)
Jingzhi Pu (additional)

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Dates

Type	When
Created	11 years, 5 months ago (April 2, 2014, 6:14 p.m.)
Deposited	2 years, 4 months ago (April 17, 2023, 10:26 a.m.)
Indexed	1 week, 4 days ago (Aug. 26, 2025, 2:40 a.m.)
Issued	11 years, 3 months ago (June 6, 2014)
Published	11 years, 3 months ago (June 6, 2014)
Published Online	11 years, 3 months ago (June 6, 2014)
Published Print	11 years ago (Aug. 12, 2014)

Funders 0

None

BibTeX

@article{Zhou_2014, title={Reaction Path Force Matching: A New Strategy of Fitting Specific Reaction Parameters for Semiempirical Methods in Combined QM/MM Simulations}, volume={10}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct4009624}, DOI={10.1021/ct4009624}, number={8}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Zhou, Yan and Pu, Jingzhi}, year={2014}, month=jun, pages={3038–3054} }

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