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- W4293071391 abstract "• Realistic water interaction model. • RAM reference potential. • Double-well potential. Using the Reference-Average-Mayer perturbation theory, effective temperature-dependent site-site potentials are constructed from a realistic water model to provide a missing direct link between complex force fields (intermolecular interaction models) and artificial simple theoretical models used to explain properties of supercooled water. It is shown, using the TIP4P interaction model, that the effective site-site interactions change qualitatively their character with changes of thermodynamic conditions and assume, at low temperatures, the form of a double well which gives rise to the existence of two metastable forms of supercooled water. Since the theory possesses capacity to provide the site-site correlation functions even in an analytic form it may form a basis for developing a molecular-based equation of state of water." @default.
- W4293071391 created "2022-08-26" @default.
- W4293071391 creator A5006971104 @default.
- W4293071391 date "2022-11-01" @default.
- W4293071391 modified "2023-09-24" @default.
- W4293071391 title "On a molecular origin of properties of water" @default.
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- W4293071391 doi "https://doi.org/10.1016/j.molliq.2022.120100" @default.
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