Energy decomposition analysis of the intermolecular interaction energy between different gas molecules (H2, O2, H2O, N2, CO2, H2S, and CO) and selected Li+-doped graphitic molecules: DF-SAPT (DFT) calculations
Titel:
Energy decomposition analysis of the intermolecular interaction energy between different gas molecules (H2, O2, H2O, N2, CO2, H2S, and CO) and selected Li+-doped graphitic molecules: DF-SAPT (DFT) calculations
Auteur:
Bamdad, Mahdiyeh Farrokhpour, Hossein Najafi, Bijan Ashrafizaadeh, Mahmud