Publication - Journal Article Understanding Adsorption of Organics on Pt(111) in the Aqueous Phase: Insights from DFT Based Implicit Solvent and Statistical Thermodynamics Models

https://doi.org/10.1021/acs.jctc.1c00894
Journal Article
Journal of Chemical Theory and Computation, vol. 18, iss. 3, pp. 1849-1861, 2022
Authors
Gabriel A. Bramley, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Roger Rousseau, Chris-Kriton Skylaris
English