Forrest, Katherine A.; Pham, Tony; Elsaidi, Sameh K.; Mohamed, Mona H.; Thallapally, Praveen K.; Zaworotko, Michael J.; Space, Brian
(American Chemical Society, 2019)
A combined Monte Carlo (MC) simulation and periodic density functional theory
(DFT) study of CO2 sorption was performed in SIFSIX-3-M (M = Fe, Co, Ni, Cu, Zn),
a family of hybrid ultramicroporous materials (HUMs) that ...