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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Liquid-vapor isotopic fractionation factors of diatomic fluids: a direct comparison between molecular simulation and

Ariel A Chialvo1, Juske Horita

  • 1Aqueous Chemistry and Geochemistry Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6110, USA. chialvoaa@ornl.gov

The Journal of Chemical Physics
|July 26, 2006
PubMed

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