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Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions
(University of Tartu, Institute of Chemistry, Ravila 14a, 50411 Tartu, Estonia, 2023-05-16)
Structure files used in "Ab Initio Calculation of Thermodynamic Functions for CO2 Adsorption in Metal-Organic Frameworks: Entropic Effects of Lateral Interactions"