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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

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons48710

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

http://pubman.mpdl.mpg.de/cone/persons/resource/persons48738

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