Temperature‐dependent vapor–liquid equilibria and solvation free energy estimation from minimal data
We present a new strategy to estimate the temperature‐dependent vapor–liquid equilibria and solvation free energies of dilute neutral molecules based on only their estimated solvation energy and enthalpy at 298 K. These two pieces of information coupled with matching conditions between the functiona...
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| Format: | Article |
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Wiley
2020
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| Online Access: | https://hdl.handle.net/1721.1/125628 |