Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Improved Sampling in Ab Initio-Based Free Energy Calculations of Amino Acids at Solid-Liquid Interfaces: A Tight-Binding Assessment on TiO2 Anatase (101)
, Authors:
Lorenzo Agosta, Erik G. Brandt, Alexander Lyubartsev
Version 2 posted 07 June 2019
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