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

Schmidt, J.; VandeVondele, J.; Kuo, I. F. W.; Sebastiani, Daniel; Siepmann, J. I.; Hutter, J.; Mundy, C. J.

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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

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Schmidt, J.
MPI for Polymer Research, Max Planck Society;

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Sebastiani, Daniel
MPI for Polymer Research, Max Planck Society;

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Schmidt, J., VandeVondele, J., Kuo, I. F. W., Sebastiani, D., Siepmann, J. I., Hutter, J., et al. (2009). Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions. Journal of Physical Chemistry B, 113(35), 11959-11964.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-7704-1

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