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收藏A density functional theory investigation of the adsorption of CH4, CO, CO2, H2, H2O, N2, NH3, NO, and NO2 on Mg20 and Mg19Zn clusters基于密度泛函理论对CH4、CO、CO2、H2、H2O、N2、NH3、NO和NO2在Mg20和Mg19Zn团簇上的吸附研究
Mohammadi, Mohsen Doust; Qadir, Karwan Wasman; Abdullah, Hewa Y.
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收藏Modelling gas adsorption onto Al12(Zn)N12 surfaces: A theoretical study of CH4, CO, CO2, H2O, N2, NH3, NO, NO2, O2, and SO2 interactions模拟气体在Al12(Zn)N12表面的吸附:CH4、CO、CO2、H2O、N2、NH3、NO、NO2、O2和SO2相互作用的理论研究
Qadir, Karwan Wasman; Mohammadi, Mohsen Doust; Abdullah, Hewa Y.
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收藏Adsorption mechanism of CO, CO2, NO, NO2, and SO2 gases onto AlNNT(m, n)_k, (m=5, 7; n=0, 5, 7; k=3-9)
Qadir, Karwan Wasman; Mohammadi, Mohsen Doust; Abdullah, Hewa Y.
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收藏Evaluating the detection potential of C59X fullerenes (X = C, Si, Ge, B, Al, Ga, N, P, and As) for H2SiCl2 molecule
Mohammadi, Mohsen Doust; Abdullah, Hewa Y.; Louis, Hitler; Etim, Emmanuel E.; Edet, Henry O.
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收藏Hexachlorobenzene (HCB) adsorption onto the surfaces of C60, C59Si, and C59Ge: Insight from DFT, QTAIM, and NCI六氯苯 (HCB) 在C60,C59Si和C59Ge表面上的吸附: DFT,QTAIM和NCI的见解
Mohammadi, Mohsen D.; Abdullah, Hewa Y.; Louis, Hitler; Etim, Emmanuel E.; Edet, Henry O.; Godfrey, Obinna C.
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收藏Gas-Phase Interaction of CO, CO2, H2S, NH3, NO, NO2, and SO2 with Zn12O12 and Zn24 Atomic Clusters
Mohammadi, Mohsen Doust; Louis, Hitler; Chukwu, Udochukwu G.; Bhowmick, Somnath; Rasaki, Michael E.; Biskos, George
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收藏Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca12O12 Nanocages: An Intuition from DFT
Ogunwale, Goodness J.; Louis, Hitler; Unimuke, Tomsmith O.; Mathias, Gideon E.; Owen, Aniekan E.; Edet, Henry O.; Enudi, Obieze C.; Oluwasanmi, Esther O.; Adeyinka, Adedapo S.; Mohammadi, Mohsen Doust
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