DOI: 10.1021/ct400863t. Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

10.1021/ct400863t

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Babin, V., Leforestier, C., & Paesani, F. (2013). Development of a âFirst Principlesâ Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient. Journal of Chemical Theory and Computation, 9(12), 5395â5403.

Authors 3

Volodymyr Babin (first)
Claude Leforestier (additional)
Francesco Paesani (additional)

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Dates

Type	When
Created	11 years, 9 months ago (Nov. 14, 2013, 4:15 p.m.)
Deposited	2 years, 4 months ago (April 22, 2023, 7:06 a.m.)
Indexed	7 hours, 20 minutes ago (Aug. 28, 2025, 8:56 a.m.)
Issued	11 years, 9 months ago (Nov. 25, 2013)
Published	11 years, 9 months ago (Nov. 25, 2013)
Published Online	11 years, 9 months ago (Nov. 25, 2013)
Published Print	11 years, 8 months ago (Dec. 10, 2013)

Funders 1

National Science Foundation 10.13039/100000001
Region: Americas
gov (National government)
Labels4
1. U.S. National Science Foundation
2. NSF
3. US NSF
4. USA NSF
Awards1
1. CHE-1111364

BibTeX

@article{Babin_2013, title={Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient}, volume={9}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct400863t}, DOI={10.1021/ct400863t}, number={12}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Babin, Volodymyr and Leforestier, Claude and Paesani, Francesco}, year={2013}, month=nov, pages={5395–5403} }

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