Showing 1 - 17 results of 17 for search 'Ernest C. Agwamba', query time: 0.05s Refine Results
  1. 1
    Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane

    Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane by Tomsmith O. Unimuke, Hitler Louis, Ededet A. Eno, Ernest C. Agwamba, Adedapo S. Adeyinka

    Published 2022-04-01
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  2. 2
    Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X ​= ​O, S, Se and Te) perovskites

    Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X ​= ​O, S, Se and Te) perovskites by Hitler Louis, Ernest C. Agwamba, Udochukwu G. Chukwu, Goodness J. Ogunwale, Thomas O. Magu, Adedapo S. Adeyinka

    Published 2023-12-01
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  3. 3
    Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)

    Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X) by Hitler Louis, Destiny E. Charlie, Ismail O. Amodu, Innocent Benjamin, Terkumbur E. Gber, Ernest C. Agwamba, Adedapo S. Adeyinka

    Published 2022-09-01
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  4. 4
    Investigation of the site-specific binding interactions and sensitivity of ochratoxin with aluminum nitride (Al12N12) nanoclusters. An intuition from Quantum Chemical Calculations

    Investigation of the site-specific binding interactions and sensitivity of ochratoxin with aluminum nitride (Al12N12) nanoclusters. An intuition from Quantum Chemical Calculations by Ernest C. Agwamba, Hitler Louis, Innocent Benjamin, Ernest E. Ekereke, Gideon E. Mathias, Eze F. Ahuekwe, Adedapo S. Adeyinka

    Published 2023-06-01
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  5. 5
    Acetylacetone and imidazole coordinated Re(I) tricarbonyl complexes: Experimental, DFT studies, and molecular docking approach

    Acetylacetone and imidazole coordinated Re(I) tricarbonyl complexes: Experimental, DFT studies, and molecular docking approach by Amanda-Lee E. Manicum, Hitler Louis, Ernest C. Agwamba, Chioma M. Chima, Wakopo J. Nzondomyo, SibusisoA. Sithole

    Published 2023-06-01
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  6. 6
    Metals (B, Ni) encapsulation of graphene/PEDOT hybrid materials for gas sensing applications: A computational study

    Metals (B, Ni) encapsulation of graphene/PEDOT hybrid materials for gas sensing applications: A computational study by Terkumbur E. Gber, Christopher A. Agida, Hitler Louis, Providence B. Ashishie, Daniel Oche, Ogonna F. Ede, Ernest C. Agwamba, Adedapo S. Adeyinka

    Published 2023-12-01
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  7. 7
    Ab-initio study of structural, electronic, phonon, X-ray spectroscopy, and the optoelectronic properties of D-block metals (Cr, Mn, Co, and Ni) substitution of barium oxide based-perovskites

    Ab-initio study of structural, electronic, phonon, X-ray spectroscopy, and the optoelectronic properties of D-block metals (Cr, Mn, Co, and Ni) substitution of barium oxide based-p... by Ededet A. Eno, Daniel Etiese, Kowthaman Pathmanathan, Ernest C. Agwamba, Udochukwu G. Chukwu, Thomas O. Magu, Alexander I. Ikeuba, Adedapo S Adeyinka, Hitler Louis

    Published 2023-12-01
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  8. 8
    Quantum capacitances of transition metal-oxides (CoO, CuO, NiO, and ZnO) doped graphene oxide nanosheet: Insight from DFT computation

    Quantum capacitances of transition metal-oxides (CoO, CuO, NiO, and ZnO) doped graphene oxide nanosheet: Insight from DFT computation by Idongesit J. Mbonu, Ernest E. Ekereke, Terkumbur E. Gber, Cookey Iyen, Ismail Hossain, Godwin O. Egah, Ernest C. Agwamba, Adedapo S. Adeyinka, Hitler Louis

    Published 2024-06-01
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  9. 9
    Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): Experimental and theoretical studies

    Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): Experimental and theoretical studies by Akaninyene D. Udoikono, Hitler Louis, Ededet A. Eno, Ernest C. Agwamba, Tomsmith O. Unimuke, Azuaga T. Igbalagh, Henry O. Edet, Joseph O. Odey, Adedapo S. Adeyinka

    Published 2022-06-01
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  10. 10
    Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment

    Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment by Ernest C. Agwamba, Akaninyene D. Udoikono, Hitler Louis, Esther U. Udoh, Innocent Benjamin, Azuaga T. Igbalagh, Henry O. Edet, Emmanuel U. Ejiofor, Ugi B. Ushaka

    Published 2022-06-01
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  11. 11
    Structural benchmarking, density functional theory simulation, spectroscopic investigation and molecular docking of N-(1H-pyrrol-2-yl) methylene)-4-methylaniline as castration-resistant prostate cancer chemotherapeutic agent

    Structural benchmarking, density functional theory simulation, spectroscopic investigation and molecular docking of N-(1H-pyrrol-2-yl) methylene)-4-methylaniline as castration-resi... by Fredrick C. Asogwa, Ernest C. Agwamba, Hitler Louis, Maryjane C. Muozie, Innocent Benjamin, Terkumbur E. Gber, Gideon E. Mathias, Adedapo S. Adeyinka, Alexander I. Ikeuba

    Published 2022-12-01
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  12. 12
    Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol

    Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol by Emmanuel E.D. Okon, Hitler Louis, Daniel Etiese, Tomsmith O. Unimuke, Gideon E. Mathias, Ededet A. Eno, Onyinye J. Ikenyirimba, Ernest C. Agwamba, Adedapo S. Adeyinka

    Published 2023-12-01
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  13. 13
    Adsorption mechanism of AsH3 pollutant on metal-functionalized coronene C24H12-X (X = Mg, Al, K) quantum dots

    Adsorption mechanism of AsH3 pollutant on metal-functionalized coronene C24H12-X (X = Mg, Al, K) quantum dots by Ernest C. Agwamba, Akaninyene D. Udoikono, Hitler Louis, Gideon E. Mathias, Innocent Benjamin, Onyinye J. Ikenyirimba, Daniel Etiese, Eze F. Ahuekwe, Amanda-Lee E. Manicum

    Published 2023-06-01
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  14. 14
    Assessing the Performance of Al12N12 and Al12P12 Nanostructured Materials for Alkali Metal Ion (Li, Na, K) Batteries

    Assessing the Performance of Al12N12 and Al12P12 Nanostructured Materials for Alkali Metal Ion (Li, Na, K) Batteries by Hitler Louis, Ernest E. Ekereke, Bartholomew B. Isang, Alexander I. Ikeuba, Ismail O. Amodu, Terkumbur E. Gber, Aniekan E. Owen, Adedapo S. Adeyinka, Ernest C. Agwamba

    Published 2022-12-01
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  15. 15
    Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents

    Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents by John A. Agwupuye, Hitlier Louis, Terkumbur E. Gber, Iqrar Ahmad, Ernest C. Agwamba, Asuquo Blessing Samuel, Ejike J. Ejiako, Harun Patel, Imabasi T. Ita, Victoria M. Bassey

    Published 2022-12-01
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  16. 16
    Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone

    Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone by Ededet A. Eno, Faith A. Patrick-Inezi, Hitler Louis, Terkumbur E. Gber, Tomsmith O. Unimuke, Ernest C. Agwamba, Onyinye Joy Ikenyirimba, Josephat A. Akpanke, Emmanuella Oyoita, Emmanuel U. Ejiofor, Stephen Adie Adalikwu

    Published 2022-12-01
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  17. 17
    Analeptic activity of 2-Hydroxyl-5-Nitrobenzaldehyde: Experimental, DFT studies, and in silico molecular docking approach

    Analeptic activity of 2-Hydroxyl-5-Nitrobenzaldehyde: Experimental, DFT studies, and in silico molecular docking approach by Faith S. Patrick-Inezi, Wilfred Emori, Hitler Louis, Chioma G. Apebende, Ernest C. Agwamba, Tomsmith O. Unimuke, Kun Wei, Chun-Ru Cheng, Victoria M. Bassey, ThankGod C. Egemonye, Precious S. Idante, Emmanuel I. Ekeng-ita, John A. Agwupuye

    Published 2022-11-01
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