A Hybrid Molecular Dynamics/Multiconformer Continuum Electrostatics (MD/MCCE) Approach for the Determination of Surface Charge of Nanomaterials

TitleA Hybrid Molecular Dynamics/Multiconformer Continuum Electrostatics (MD/MCCE) Approach for the Determination of Surface Charge of Nanomaterials
Publication TypeJournal Article
Year of Publication2017
AuthorsHong, JW, Hamers, RJ, Pedersen, JA, Cui, Q
JournalJournal of Physical Chemistry C
Volume121
Pagination3584-3596
Date PublishedFeb
ISBN Number1932-7447
DOI10.1021/acs.jpcc.6b11537