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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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A Monte Carlo density functional theory for the competition between inter and intramolecular association in

Bennett D Marshall1, Alejandro J García-Cuéllar, Walter G Chapman

  • 1Department of Chemical and Biomolecular Engineering, Rice University, 6100 S. Main, Houston, Texas 77005, USA.

The Journal of Chemical Physics
|June 8, 2013
PubMed

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