Using the Isalos platform to develop a (Q)SAR model that predicts metal oxide toxicity utilizing facet-based electronic, image analysis-based, and periodic table derived properties as descriptors
Thwala, M. M., Afantitis, A., Papadiamantis, A. G., Tsoumanis, A., Melagraki, G., Dlamini, L. N., Ouma, C. N. M., Ramasami, P., Harris, R., Puzyn, T., Sanabria, N., Lynch, I., Gulumian, M.
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Published in Structural chemistry (01.04.2022)
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Ab‐initio study of germanium di-interstitial using a hybrid functional (HSE)
Igumbor, E., Ouma, C.N.M., Webb, G., Meyer, W.E.
Published in Physica. B, Condensed matter (01.01.2016)
Published in Physica. B, Condensed matter (01.01.2016)
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Sn3C2 monolayer with transition metal adatom for gas sensing: a density functional theory studies
Obodo, K O, Ouma, C N M, Obodo, J T, Gebreyesus, G, Rai, D P, Ukpong, A M, Bouhafs, B
Published in Nanotechnology (27.08.2021)
Published in Nanotechnology (27.08.2021)
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Controlling the electronic and optical properties of HfS2 mono-layers via lanthanide substitutional doping: a DFT+U study
Obodo, K O, Gebreyesus, G, Ouma, C N M, Obodo, J T, Ezeonu, S O, Rai, D P, Bouhafs, B
Published in RSC advances (23.04.2020)
Published in RSC advances (23.04.2020)
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Journal Article
Controlling the electronic and optical properties of HfS 2 mono-layers via lanthanide substitutional doping: a DFT+ U study
Obodo, K O, Gebreyesus, G, Ouma, C N M, Obodo, J T, Ezeonu, S O, Rai, D P, Bouhafs, B
Published in RSC advances (23.04.2020)
Published in RSC advances (23.04.2020)
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Effect of chalcogen (S, Se and Te) surface additives on the dehydrogenation of a liquid organic hydrogen carrier system, octahydroindole–indole, on a Pt (111) surface
Ouma, C.N.M., Obodo, K.O., Modisha, Phillimon M., Rhyman, L., Ramasami, P., Bessarabov, D.
Published in Applied surface science (15.11.2021)
Published in Applied surface science (15.11.2021)
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Journal Article
Sn 3 C 2 monolayer with transition metal adatom for gas sensing: a density functional theory studies
Obodo, K O, Ouma, C N M, Obodo, J T, Gebreyesus, G, Rai, D P, Ukpong, A M, Bouhafs, B
Published in Nanotechnology (27.08.2021)
Published in Nanotechnology (27.08.2021)
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Ammonia gas sensing characteristics of V2O5 nanostructures: A combined experimental and ab initio density functional theory approach
Akande, A.A., Mosuang, T., Ouma, C.N.M., Benecha, E.M., Tesfamichael, T., Roro, K., Machatine, A.G.J., Mwakikunga, B.W.
Published in Journal of alloys and compounds (25.04.2020)
Published in Journal of alloys and compounds (25.04.2020)
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Journal Article
Sn3C2monolayer with transition metal adatom for gas sensing: a density functional theory studies
Obodo, K O, Ouma, C N M, Obodo, J T, Gebreyesus, G, Rai, D P, Ukpong, A M, Bouhafs, B
Published in Nanotechnology (09.06.2021)
Published in Nanotechnology (09.06.2021)
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Journal Article
Controlling the electronic and optical properties of HfS mono-layers lanthanide substitutional doping: a DFT+ study
Obodo, K. O, Gebreyesus, G, Ouma, C. N. M, Obodo, J. T, Ezeonu, S. O, Rai, D. P, Bouhafs, B
Published in RSC advances (23.04.2020)
Published in RSC advances (23.04.2020)
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