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.
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Procedia Engineering 44 (2012) 1920 – 1922

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O. Vitrac et al. / Procedia Engineering 44 (2012) 1920 – 1922

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