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Oxidation, Stability, and Magnetic Ground States of Two-Dimensional Layered Electrides
Adsorption of Organic Molecules on the Hydrogenated Germanene: A DFT Study
Hibbitts Group Publications
The adsorption energy (eV) of H 2 , bond length d H-H (Å), adatom to H
Adsorption of gas molecules on buckled GaAs monolayer: a first-principles study - RSC Advances (RSC Publishing) DOI:10.1039/D2RA02030K
Solved Experimental bond distances and bond dissociation
Catalysts, Free Full-Text
First-principles study of hydrogen storage on Li, Na and K-decorated defective boron nitride nanosheets
The adsorption energy (eV) of H 2 , bond length d H-H (Å), adatom to H
First-principles study of hydrogen storage on Li, Na and K-decorated defective boron nitride nanosheets
Effect of point defects on water adsorption on the ThO2{111} surface: A first-principles computational study - ScienceDirect
Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films
Molecules, Free Full-Text
PDF) Metallized siligraphene nanosheets (SiC7) as high capacity hydrogen storage materials
Density functional theory calculations for Pd adsorption on SO4 adsorbed on h-BN - ScienceDirect