A Hybrid Molecular Dynamics/Multiconformer Continuum Electrostatics (MD/MCCE) Approach for the Determination of Surface Charge of Nanomaterials
Author:
Affiliation:
1. Department of Chemistry and Theoretical Chemistry Institute, ‡Department of Chemistry, and §Departments of Soil Science, Civil & Environmental Engineering, and Chemistry, University of Wisconsin—Madison, Madison, Wisconsin 53706, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b11537
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