Choosing a density functional for modeling adsorptive hydrogen storage: reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals
Mikuláš Kocman(Regional Centre of Advanced Technologies and Materials), Kwang S. Kim(Pohang University of Science and Technology), Matúš Dubecký(Regional Centre of Advanced Technologies and Materials), Michal Otyepka(VSB - Technical University of Ostrava), Petr Jurečka(Palacký University Olomouc), Yeonchoo Cho(Pohang University of Science and Technology)
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