The Determination of Free Energy of Hydration of Water Ions from First Principles-Reference-Cited by-同舟云学术

The Determination of Free Energy of Hydration of Water Ions from First Principles

Published:2024-06-06 Issue:12 Volume:20 Page:5215-5224
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Butin Oleg¹,Pereyaslavets Leonid¹^ORCID,Kamath Ganesh¹^ORCID,Illarionov Alexey¹,Sakipov Serzhan¹^ORCID,Kurnikov Igor V.¹,Voronina Ekaterina¹²,Ivahnenko Ilya¹,Leontyev Igor¹,Nawrocki Grzegorz¹,Darkhovskiy Mikhail¹,Olevanov Michael¹³,Cherniavskyi Yevhen K.¹,Lock Christopher¹⁴^ORCID,Greenslade Sean¹,Kornberg Roger D.⁵,Levitt Michael⁵,Fain Boris¹^ORCID

Affiliation:

1. InterX, Inc. (a subsidiary of NeoTX Therapeutics, Ltd.), 805 Allston Way, Berkeley, California 94710, United States

2. Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, Moscow 119991, Russia

3. Department of Physics, Lomonosov Moscow State University, Moscow 119991, Russia

4. Department of Neurology and Neurological Sciences, Stanford University School of Medicine, Palo Alto, California 94304, United States

5. Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01411

Reference62 articles.

1. Thermodynamics of solvation of ions. Part 5.—Gibbs free energy of hydration at 298.15 K

2. The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data

3. Comment on “Accurate Experimental Values for the Free Energies of Hydration of H+, OH-, and H3O+”

4. The Ionic Work Function and its Role in Estimating Absolute Electrode Potentials