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Coexistence calculation using the Isothermal-Isochoric Integration Method

Author(s)
Seyed M. Razavi, Richard A. Messerly, J. R. Elliott
In this work, an isothermal-isochoric integration (ITIC) method is proposed and tested as a viable method for vapor pressure calculation by molecular simulation. Several tests were carried out to validate the method which resulted in less than 1 %
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