Hydrogen Bond Thermodynamics in Aqueous Acid Solutions: A Combined DFT and Classical Force-Field Approach
Author:
Affiliation:
1. Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania16801, United States
2. Department of Chemical & Biomolecular Engineering, University of Pennsylvania, Philadelphia, Pennsylvania19104, United States
Funder
Division of Chemical, Bioengineering, Environmental, and Transport Systems
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c04124
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