DOI: 10.1021/jp901990u. Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

10.1021/jp901990u

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry B (316)

Bibliography

Schmidt, J., VandeVondele, J., Kuo, I.-F. W., Sebastiani, D., Siepmann, J. I., Hutter, J., & Mundy, C. J. (2009). IsobaricâIsothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions. The Journal of Physical Chemistry B, 113(35), 11959â11964.

Authors 7

Jochen Schmidt (first)
Joost VandeVondele (additional)
I.-F. William Kuo (additional)
Daniel Sebastiani (additional)
J. Ilja Siepmann (additional)
Jürg Hutter (additional)
Christopher J. Mundy (additional)

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Dates

Type	When
Created	16 years ago (Aug. 7, 2009, 12:51 p.m.)
Deposited	1 year, 5 months ago (March 15, 2024, 3:40 p.m.)
Indexed	6 hours, 13 minutes ago (Aug. 31, 2025, 6:09 a.m.)
Issued	16 years ago (Aug. 7, 2009)
Published	16 years ago (Aug. 7, 2009)
Published Online	16 years ago (Aug. 7, 2009)
Published Print	15 years, 11 months ago (Sept. 3, 2009)

Funders 0

None

BibTeX

@article{Schmidt_2009, title={Isobaricâˆ’Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions}, volume={113}, ISSN={1520-5207}, url={http://dx.doi.org/10.1021/jp901990u}, DOI={10.1021/jp901990u}, number={35}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Schmidt, Jochen and VandeVondele, Joost and Kuo, I.-F. William and Sebastiani, Daniel and Siepmann, J. Ilja and Hutter, JÃ¼rg and Mundy, Christopher J.}, year={2009}, month=aug, pages={11959â€“11964} }

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