Enthalpies and entropies of hydration from Monte Carlo simulations

William L. Jorgensen

doi:10.1039/d4cp00297k

Enthalpies and entropies of hydration from Monte Carlo simulations

Physical Chemistry Chemical Physics 26(10): 8141-8147

Article 2024 English

Abstract

1 min read

Changes in free energy, enthalpy, and entropy for transfer of a solute from the gas phase into solution are computed using Monte Carlo simulations in direct and van't Hoff approaches.

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