DOI: 10.1021/acs.jctc.9b00717. Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics

Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics

10.1021/acs.jctc.9b00717

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Gauthier, J. A., Dickens, C. F., Heenen, H. H., Vijay, S., Ringe, S., & Chan, K. (2019). Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics. Journal of Chemical Theory and Computation, 15(12), 6895â6906.

Authors 6

Joseph A. Gauthier (first)
Colin F. Dickens (additional)
Hendrik H. Heenen (additional)
Sudarshan Vijay (additional)
Stefan Ringe (additional)
Karen Chan (additional)

References 108 Referenced 122

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Dates

Type	When
Created	5 years, 9 months ago (Nov. 5, 2019, 4:23 p.m.)
Deposited	2 years, 4 months ago (April 13, 2023, 12:28 p.m.)
Indexed	4 days, 3 hours ago (Aug. 21, 2025, 1:48 p.m.)
Issued	5 years, 9 months ago (Nov. 5, 2019)
Published	5 years, 9 months ago (Nov. 5, 2019)
Published Online	5 years, 9 months ago (Nov. 5, 2019)
Published Print	5 years, 8 months ago (Dec. 10, 2019)

Funders 3

National Science Foundation 10.13039/100000082 Division of Graduate Education
Region: Americas
gov (National government)
Labels5
1. NSF Division of Graduate Education
2. Graduate Education
3. EDU/DGE
4. EHR/DGE
5. DGE
Awards1
1. DGE-114747
Villum Fonden 10.13039/100008398
Region: Europe
pri (Trusts, charities, foundations (both public and private))
Labels1
1. Villum Foundation
Awards1
1. 9455
U.S. Department of Energy 10.13039/100006132 Office of Science
Region: Americas
gov (National government)
Labels8
1. U.S. DOE Office of Science
2. DOE Office of Science
3. DOE's Office of Science
4. Department of Energy's (DOE's) Office of Science
5. The DOE Office of Science
6. U.S. Department of Energy Office of Science
7. U.S. Dept. of Energy Office of Science
8. SC
Awards1
1. DE-SC0004993

BibTeX

@article{Gauthier_2019, title={Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics}, volume={15}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/acs.jctc.9b00717}, DOI={10.1021/acs.jctc.9b00717}, number={12}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Gauthier, Joseph A. and Dickens, Colin F. and Heenen, Hendrik H. and Vijay, Sudarshan and Ringe, Stefan and Chan, Karen}, year={2019}, month=nov, pages={6895–6906} }

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