Solvation Enthalpy Determination for Aqueous-Phase Reaction Adsorbates Using Ab Initio Molecular Dynamics-Based Structure Sampling
Author:
Affiliation:
1. Davidson School of Chemical Engineering, Purdue University, 480 W. Stadium Drive, West Lafayette, Indiana 47907, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c06870
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