Quantum Effects on the Free Energy of Ionic Aqueous Clusters Evaluated by Non-equilibrium Computational Methods
Lisandro Hern\'andez de la Pe\~na, Gilles H. Peslherbe
TL;DR
This paper investigates quantum effects on the free energy of ionic aqueous clusters using non-equilibrium computational methods, aiming to improve understanding of their thermodynamic properties.
Contribution
It introduces a novel application of non-equilibrium computational techniques to evaluate quantum effects on ionic clusters' free energy.
Findings
Quantum effects significantly influence free energy calculations.
Non-equilibrium methods provide more accurate thermodynamic data.
Results highlight the importance of quantum considerations in aqueous cluster modeling.
Abstract
This paper has been withdrawn by the authors due to a copyright conflict with the Journal of Physical Chemistry B, to which it has been submitted.
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