A doubly associated reference perturbation theory for water
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DOI: 10.1016/j.fluid.2019.112252
Abstract: In this work we develop a new classical perturbation theory for water which incorporates the transition to tetrahedral symmetry in both the dispersion and hydrogen bonding contributions to the free energy. This transition is calculated… read more here.
Keywords: reference; theory; theory water; perturbation theory ... See more keywords