Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction
Louis, Hitler, Ikenyirimba, Onyinye J, Unimuke, Tomsmith O, Mathias, Gideon E, Gber, Terkumbur E, Adeyinka, Adedapo S
Published in Scientific reports (16.09.2022)
Published in Scientific reports (16.09.2022)
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Journal Article
Author Correction: High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material
Unimuke, Tomsmith O, Louis, Hitler, Ikenyirimba, Onyinye J, Mathias, Gideon E, Adeyinka, Adedapo S, Nasr, Chérif Ben
Published in Scientific reports (06.08.2024)
Published in Scientific reports (06.08.2024)
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Journal Article
High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material
Unimuke, Tomsmith O, Louis, Hitler, Ikenyirimba, Onyinye J, Mathias, Gideon E, Adeyinka, Adedapo S, Nasr, Chérif Ben
Published in Scientific reports (05.07.2023)
Published in Scientific reports (05.07.2023)
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Journal Article
Modeling the anti-Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of (E)-6-chloro-N2-phenyl-N4-(4-Phenyl-5-(Phenyl Diazinyl)-2λ3, 3 λ2- Thiazol-2-yl)-1, 3, 5-Triazine-2,4- Diamine
Benjamin, Innocent, Louis, Hitler, O. Ekpen, Francis, Gber, Terkumbur E., Gideon, Mathias E., Ahmad, Iqrar, Unimuke, Tomsmith O., P. Akanimo, Nyong, Patel, Harun, Eko, Ishegbe J., Simon, Ojima, Agwamba, Ernest C., Ejiofor, Emmanuel U.
Published in Polycyclic aromatic compounds (21.10.2023)
Published in Polycyclic aromatic compounds (21.10.2023)
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Journal Article
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
Molecular Simulation of the Interaction of Diclofenac with Halogen (F, Cl, Br)-Encapsulated Ga12As12 Nanoclusters
Nwobodo, Ikechukwu C., Louis, Hitler, Unimuke, Tomsmith O., Ikenyirimba, Onyinye J., Iloanya, Anthony C., Mathias, Gideon E., Osabor, Vincent N., Ahuekwe, Eze F., Adeyinka, Adedapo S.
Published in ACS omega (23.05.2023)
Published in ACS omega (23.05.2023)
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Journal Article
Combined Experimental and Computational Study of V‑Substituted Lindqvist Polyoxotungstate: Screening by Docking for Potential Antidiabetic Activity
Maalaoui, Ahlem, Agwamba, Ernest C., Louis, Hitler, Mathias, Gideon E., Rzaigui, Mohamed, Akriche, Samah
Published in Inorganic chemistry (04.09.2023)
Published in Inorganic chemistry (04.09.2023)
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Journal Article
Metal-Doped Al12N12X (X = Na, Mg, K) Nanoclusters as Nanosensors for Carboplatin: Insight from First-Principles Computation
Louis, Hitler, Mathias, Gideon E, Ikenyirimba, Onyinye J, Unimuke, Tomsmith O, Etiese, Daniel, Adeyinka, Adedapo S
Published in The journal of physical chemistry. B (14.07.2022)
Published in The journal of physical chemistry. B (14.07.2022)
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Journal Article
Retraction of “Metal-Doped Al12N12X (X = Na, Mg, K) Nanoclusters as Nanosensors for Carboplatin: Insight from First-Principles Computation”
Louis, Hitler, Mathias, Gideon E., Ikenyirimba, Onyinye J., Unimuke, Tomsmith O., Etiese, Daniel, Adeyinka, Adedapo S.
Published in The journal of physical chemistry. B (25.04.2024)
Published in The journal of physical chemistry. B (25.04.2024)
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Journal Article
Retraction of "Metal-Doped Al 12 N 12 X (X = Na, Mg, K) Nanoclusters as Nanosensors for Carboplatin: Insight from First-Principles Computation"
Louis, Hitler, Mathias, Gideon E, Ikenyirimba, Onyinye J, Unimuke, Tomsmith O, Etiese, Daniel, Adeyinka, Adedapo S
Published in The journal of physical chemistry. B (25.04.2024)
Published in The journal of physical chemistry. B (25.04.2024)
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Journal Article
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
Asogwa, Fredrick C., Agwamba, Ernest C., Louis, Hitler, Muozie, Maryjane C., Benjamin, Innocent, Gber, Terkumbur E., Mathias, Gideon E., Adeyinka, Adedapo S., Ikeuba, Alexander I.
Published in Chemical physics impact (01.12.2022)
Published in Chemical physics impact (01.12.2022)
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Journal Article
Detection of cyanogen (NCCN) on Ga-, In-, and Tl-doped aluminium nitride (AlN) nanotube: insights from quantum chemical calculations
Ngana, Obinna C., Gber, Terkumbur E., Al-Ahmary, Khairia Mohammed, Mathias, Gideon E., Almuqrin, Aljawhara, Adelagun, Ruth O., Al-Otaibi, Jamelah S., Agurokpon, Daniel C., Benjamin, Innocent, Adeyinka, Adedapo S., Louis, Hitler
Published in Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology (01.02.2024)
Published in Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology (01.02.2024)
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Journal Article
Investigation of the site-specific binding interactions and sensitivity of ochratoxin with aluminum nitride (Al12N12) nanoclusters. An intuition from Quantum Chemical Calculations
Agwamba, Ernest C., Louis, Hitler, Benjamin, Innocent, Ekereke, Ernest E., Mathias, Gideon E., Ahuekwe, Eze F., Adeyinka, Adedapo S.
Published in Chemical physics impact (01.06.2023)
Published in Chemical physics impact (01.06.2023)
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Journal Article
Adsorption mechanism of AsH3 pollutant on metal-functionalized coronene C24H12-X (X = Mg, Al, K) quantum dots
Agwamba, Ernest C., Udoikono, Akaninyene D., Louis, Hitler, Mathias, Gideon E., Benjamin, Innocent, Ikenyirimba, Onyinye J., Etiese, Daniel, Ahuekwe, Eze F., Manicum, Amanda-Lee E.
Published in Chemical physics impact (01.06.2023)
Published in Chemical physics impact (01.06.2023)
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Journal Article
Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol
Okon, Emmanuel E.D., Louis, Hitler, Etiese, Daniel, Unimuke, Tomsmith O., Mathias, Gideon E., Eno, Ededet A., Ikenyirimba, Onyinye J., Agwamba, Ernest C., Adeyinka, Adedapo S.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Journal Article
Molecular Simulation of the Interaction of Diclofenac with Halogen (F, Cl, Br)-Encapsulated Ga 12 As 12 Nanoclusters
Nwobodo, Ikechukwu C, Louis, Hitler, Unimuke, Tomsmith O, Ikenyirimba, Onyinye J, Iloanya, Anthony C, Mathias, Gideon E, Osabor, Vincent N, Ahuekwe, Eze F, Adeyinka, Adedapo S
Published in ACS omega (23.05.2023)
Published in ACS omega (23.05.2023)
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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
2D boron nitride material as a sensor for H2SiCl2
Doust Mohammadi, Mohsen, Abdullah, Hewa Y., Louis, Hitler, Mathias, Gideon E.
Published in Computational and theoretical chemistry (01.07.2022)
Published in Computational and theoretical chemistry (01.07.2022)
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Journal Article
Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2,6-bis(4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): A potent antiviral agent
Ramalingam, Arulraj, Sambandam, Sivakumar, Louis, Hitler, Imojara, Anna, Mathias, Gideon E.
Published in Journal of molecular structure (05.11.2023)
Published in Journal of molecular structure (05.11.2023)
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Journal Article