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., Doust Mohammadi, Mohsen
Published in ACS omega (18.04.2023)
Published in ACS omega (18.04.2023)
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Journal Article
Influence of alkaline-earth metals (B = Be, Mg, Ca) doping on the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopic studies of CsBCl3 halide perovskites
Ikot, Immaculata J., Louis, Hitler, Ogunwale, Goodness J., Amodu, Ismail O., Ashishie, Providence B., Ekeng-ita, Emmanuel, Adeyinka, Adedapo S.
Published in Journal of materials science (01.04.2023)
Published in Journal of materials science (01.04.2023)
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Journal Article
Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X = O, S, Se and Te) perovskites
Louis, Hitler, Agwamba, Ernest C., Chukwu, Udochukwu G., Ogunwale, Goodness J., Magu, Thomas O., Adeyinka, Adedapo S.
Published in Chemistry of Inorganic Materials (01.12.2023)
Published in Chemistry of Inorganic Materials (01.12.2023)
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Journal Article
Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca 12 O 12 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, Doust Mohammadi, Mohsen
Published in ACS omega (18.04.2023)
Published in ACS omega (18.04.2023)
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Journal Article
Modeling of pristine, Ir- and Au-decorated C60 fullerenes as sensors for detection of hydroxyurea and nitrosourea drugs
Ogunwale, Goodness J., Louis, Hitler, Gber, Terkumbur E., Adeyinka, Adedapo S.
Published in Journal of environmental chemical engineering (01.12.2022)
Published in Journal of environmental chemical engineering (01.12.2022)
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Journal Article
Pristine fullerene (C24) metals (Mo, Fe, Au) engineered nanostructured materials as an efficient electro-catalyst for hydrogen evolution reaction (HER): A density functional theory (DFT) study
Agwamba, Ernest C., Louis, Hitler, Isang, Bartholomew B., Ogunwale, Goodness J., Ikenyirimba, Onyinye J., Adeyinka, Adedapo S.
Published in Materials chemistry and physics (01.03.2023)
Published in Materials chemistry and physics (01.03.2023)
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Journal Article
Spectroscopic, structural, and intermolecular interactions of 4-(2-hydroxy-3-methoxybenzylideneamino)-N-(5-methylisoxazol-3-yl)benzenesulfonamide enol-imine and keto-amine isomers
Louis, Hitler, Ogunwale, Goodness J., Agwamba, Ernest C., Unimuke, Tomsmith O., Ahuekwe, Eze F., Adeyinka, Adedapo S.
Published in Journal of molecular structure (05.05.2023)
Published in Journal of molecular structure (05.05.2023)
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Journal Article
Density functional theory (DFT) computation of pristine and metal-doped MC59 (M = Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems
Apebende, Chioma G., Ogunwale, Goodness J., Louis, Hitler, Benjamin, Innocent, Kadiri, Michael T., Owen, Aniekan E., Manicum, Amanda-Lee E.
Published in Materials science in semiconductor processing (01.05.2023)
Published in Materials science in semiconductor processing (01.05.2023)
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Journal Article
Influence of alkaline-earth metals
Ikot, Immaculata J, Louis, Hitler, Ogunwale, Goodness J, Amodu, Ismail O, Ashishie, Providence B, Ekeng-ita, Emmanuel, Adeyinka, Adedapo S
Published in Journal of materials science (01.04.2023)
Published in Journal of materials science (01.04.2023)
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Journal Article
Influence of alkaline-earth metals doping on the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopic studies of CsBCl.sub.3 halide perovskites
Ikot, Immaculata J, Louis, Hitler, Ogunwale, Goodness J, Amodu, Ismail O, Ashishie, Providence B, Ekeng-ita, Emmanuel, Adeyinka, Adedapo S
Published in Journal of materials science (01.04.2023)
Published in Journal of materials science (01.04.2023)
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Journal Article
Modeling the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopy of X–SnO3 (X=Ag, Cs, Hf) perovskites
Ogunwale, Goodness J., Louis, Hitler, Amodu, Ismail O., Charlie, Destiny E., Ikot, Immaculata J., Olagoke, Praise O., Adeyinka, Adedapo S.
Published in Computational and theoretical chemistry (01.02.2023)
Published in Computational and theoretical chemistry (01.02.2023)
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Spectroscopic (UV–vis, FT-IR, FT-Raman, and NMR) analysis, structural benchmarking, molecular properties, and the in-silico cerebral anti-ischemic activity of 2-amino-6-ethoxybenzothiazole
Emori, Wilfred, Ogunwale, Goodness J., Louis, Hitler, Agwamba, Ernest C., Wei, Kun, Unimuke, Tomsmith O., Cheng, Chun-Ru, Ejiofor, Emmanuel U., Asogwa, Fredrick C., Adeyinka, Adedapo S.
Published in Journal of molecular structure (05.10.2022)
Published in Journal of molecular structure (05.10.2022)
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Journal Article
Effect of d-block metals (M = Ti, Zr, Hf) decorated fullerenes M@C60 as sensor nanostructured materials for volatile organic compounds (VOCs): Approach from computational study
Bassey, Victoria M., Gber, Terkumbur E., Ikot, Immaculata J., Syed, Asad, Ogunwale, Goodness J., Edim, Moses M., Orosun, Muyiwa M., Louis, Hitler
Published in Inorganic chemistry communications (01.02.2024)
Published in Inorganic chemistry communications (01.02.2024)
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Journal Article
Effects of alkali-metals (X = Li, Na, K) doping on the electronic, optoelectronic, thermodynamic, and X-ray spectroscopic properties of X–SnI3 halide perovskites
Charlie, Destiny E., Louis, Hitler, Ogunwale, Goodness J., Amodu, Ismail O., Ashishie, Providence B., Agwamba, Ernest C., Adeyinka, Adedapo S.
Published in Computational Condensed Matter (01.06.2023)
Published in Computational Condensed Matter (01.06.2023)
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