Improved Sampling in Ab Initio-Based Free Energy Calculations of Amino Acids at Solid-Liquid Interfaces: A Tight-Binding Assessment on TiO2 Anatase (101)
doi 10.26434/chemrxiv.8230427.v1
Full Text
Open PDFAbstract
Available in full text
Date
June 6, 2019
Authors
Publisher
American Chemical Society (ACS)