Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO2(110)/H2O Interface

Title
Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO2(110)/H2O Interface
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 16, Issue 10, Pages 6520-6527
Publisher
American Chemical Society (ACS)
Online
2020-08-15
DOI
10.1021/acs.jctc.0c00021

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