Choosing a density functional for modeling adsorptive hydrogen storage: reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals
Kocman, Mikuláš, Jurečka, Petr, Dubecký, Matúš, Otyepka, Michal, Cho, Yeonchoo, Kim, Kwang S.Том:
17
Рік:
2015
Мова:
english
Журнал:
Phys. Chem. Chem. Phys.
DOI:
10.1039/C4CP04354E
Файл:
PDF, 1.33 MB
english, 2015