Computing RPA Adsorption Enthalpies by Machine Learning Thermodynamic Perturbation Theory
Chehaibou, Bilal, Badawi, Michael, Bučko, Tomáš, Bazhirov, Timur, Rocca, DarioLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00782
Date:
October, 2019
File:
PDF, 1.74 MB
english, 2019