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

✍ Scribed by Schmidt, Jochen; VandeVondele, Joost; Kuo, I.-F. William; Sebastiani, Daniel; Siepmann, J. Ilja; Hutter, Jürg; Mundy, Christopher J.


Book ID
111647194
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
280 KB
Volume
113
Category
Article
ISSN
0022-3654

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