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Molecular Modeling of Thermodynamical Properties ...
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Molecular Modeling of Thermodynamical Properties ...
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$ndersen
barostat
and a cell mass prefactor of 3.32 10-26 kg. To enable a ... hydrogen bonds,
barostat
corrections were switched off every 90 ps during 10 ps.
Available online at www.sciencedirect.com
Procedia Engineering 44 (2012) 1920 – 1922
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