Open AccessQuantum chemical simulation of hydrogen adsorption in pores: A study by DFT, SAPT0 and IGM methods
Author(s) -
И.К. Петрушенко
Publication year - 2022
Publication title -
izvestiâ vuzov. prikladnaâ himiâ i biotehnologiâ
Language(s) - English
Resource type - Journals
eISSN - 2500-1558
pISSN - 2227-2925
DOI - 10.21285/2227-2925-2022-12-3-363-372
Subject(s) - adsorption , hydrogen , hydrogen storage , molecule , gravimetric analysis , interaction energy , dispersion (optics) , density functional theory , intermolecular force , chemical physics , binding energy , chemistry , hydrogen bond , materials science , nanotechnology , computational chemistry , organic chemistry , atomic physics , physics , quantum mechanics