Enhancing adsorption and sensing performances of pristine and Ni cluster doped HfSe2 monolayers to SF6 decomposition gases: A DFT study
NH Ali, LF Al-Badry - Computational and Theoretical Chemistry, 2023 - Elsevier
In this work, we used first-principles theory to examine the adsorption performance of three
typical sulfur hexafluoride (SF 6) decomposed gases (SO 2, SOF 2, and SO 2 F 2) on a …
typical sulfur hexafluoride (SF 6) decomposed gases (SO 2, SOF 2, and SO 2 F 2) on a …
WITHDRAWN: Electronic properties and UV–Vis spectra for some suggested Cyclohexane-1, 2-diamine-oxalate-platinum metal complexes: SDD-B3LYP/DFT …
WS Irzooqi, HI Abbood, SD AL-Saeedi - 2021 - Elsevier
Withdrawal Notice WITHDRAWN: Electronic properties and UV–Vis spectra for some
suggested Cyclohexane-1, 2-diamine-oxalate-platinum metal complexes: SDD-B3LYP/DFT …
suggested Cyclohexane-1, 2-diamine-oxalate-platinum metal complexes: SDD-B3LYP/DFT …
[PDF][PDF] Density Functional Theory Calculations of Electronic Properties, IR and UV-Vis Spectrum, Dipoles Moments, and Atomic Charge Distribution of Mg 1-X Zn …
HA Yusr - Journal of Wasit for Science and Medicine, 2017 - iasj.net
Abstract Theoretical study using (Density Functional Theory) DFT method with B3LYP
functional and the 3-21G (d, p) basis set had been implemented of calculating molecular …
functional and the 3-21G (d, p) basis set had been implemented of calculating molecular …