Open AccessAdsorbate Free Energies from DFT-Derived Translational Energy Landscapes
Author(s) -
Craig Waitt,
Audrey R. Miles,
William F. Schneider
Publication year - 2021
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.1c05917
Subject(s) - monatomic ion , translational energy , density functional theory , statistical physics , potential energy , thermodynamic free energy , chemistry , physics , computational chemistry , thermodynamics , quantum mechanics , molecule
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