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
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
Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane
Unimuke, Tomsmith O, Louis, Hitler, Eno, Ededet A, Agwamba, Ernest C, Adeyinka, Adedapo S
Published in ACS omega (26.04.2022)
Published in ACS omega (26.04.2022)
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Journal Article
Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2,2-dichlorovinyldimethylphosphate agrochemical based pollutant
Akpe, Michael A, Okon, Gideon A, Louis, Hitler, Benjamin, Innocent, Akem, Martilda U, Brown, Onyebuenyi I, Adalikwu, Stephen A, Adeyinka, Adedapo S
Published in Scientific reports (28.06.2023)
Published in Scientific reports (28.06.2023)
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Journal Article
Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)
Louis, Hitler, Charlie, Destiny E., Amodu, Ismail O., Benjamin, Innocent, Gber, Terkumbur E., Agwamba, Ernest C., Adeyinka, Adedapo S.
Published in ACS omega (04.10.2022)
Published in ACS omega (04.10.2022)
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Journal Article
1,2,3-triazole and chiral Schiff base hybrids as potential anticancer agents: DFT, molecular docking and ADME studies
Belay, Yonas, Muller, Alfred, Mokoena, Fanikie S, Adeyinka, Adedapo S, Motadi, Lesetja R, Oyebamiji, Abel K
Published in Scientific reports (23.03.2024)
Published in Scientific reports (23.03.2024)
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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
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
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 of Al12N12, Mg12O12, Ca12O12, and C23N nanostructured as potential anode materials for sodium-ion battery
Louis, Hitler, Isang, Bartholomew B., Unimuke, Tomsmith O., Gber, Terkumbur E., Amodu, Ismail O., Ikeuba, Alexander I., Adeyinka, Adedapo S.
Published in Journal of solid state electrochemistry (2023)
Published in Journal of solid state electrochemistry (2023)
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Synthesis, Characterization, DFT and Photocatalytic Studies of a New Pyrazine Cadmium(II) Tetrakis(4-methoxy-phenyl)-porphyrin Compound
Mchiri, Chadlia, Coetzee, Louis-Charl C., Chandoul, Faycal, Jedidi, Abdesslem, Adeyinka, Adedapo S., Magwa, Nomampondo, Roisnel, Thierry, Ben Moussa, Sana, Nasri, Habib
Published in Molecules (Basel, Switzerland) (14.06.2022)
Published in Molecules (Basel, Switzerland) (14.06.2022)
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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
Heteroatoms (B, N, S) doped quantum dots as potential drug delivery system for isoniazid: insight from DFT, NCI, and QTAIM
Edet, Henry O., Louis, Hitler, Gber, Terkumbur E., Idante, Precious S., Egemonye, ThankGod C., Ashishie, Providence B., Oyo-Ita, Emmanuella E., Benjamin, Innocent, Adeyinka, Adedapo S.
Published in Heliyon (01.01.2023)
Published in Heliyon (01.01.2023)
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Journal Article
Molecular Modeling of the Spectroscopic, Structural, and Bioactive Potential of Tetrahydropalmatine: Insight from Experimental and Theoretical Approach
Emori, Wilfred, Louis, Hitler, Adalikwu, Stephen A., Timothy, Rawlings A., Cheng, Chun-Ru, Gber, Terkumbur E., Agwamba, Ernest C., Owen, Aniekan E., Ling, Liu, Offiong, Offiong E., Adeyinka, Adedapo S.
Published in Polycyclic aromatic compounds (09.08.2023)
Published in Polycyclic aromatic compounds (09.08.2023)
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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
Synthesis, characterization, biological evaluation, DFT and molecular docking studies of ()-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol and its Co(), Ni(), Cu(), and Zn() complexes
Waziri, Ibrahim, Masena, Hlonepho M, Yusuf, Tunde L, Coetzee, Louis-Charl C, Adeyinka, Adedapo S, Muller, Alfred J
Published in New journal of chemistry (02.10.2023)
Published in New journal of chemistry (02.10.2023)
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Journal Article
Anti-inflammatory biomolecular activity of chlorinated-phenyldiazenyl-naphthalene-2-sulfonic acid derivatives: perception from DFT, molecular docking, and molecular dynamic simulation
Udoikono, Akaninyene D., Agwamba, Ernest C., Louis, Hitler, Benjamin, Innocent, Ahmad, Iqrar, Ejiofor, Emmanuel U., Ahuekwe, Eze F., Chukwuemeka, Kelechi, Adeyinka, Adedapo S., Patel, Harun M., Manicum, Amanda-Lee, Edim, Moses
Published in Journal of biomolecular structure & dynamics (24.11.2023)
Published in Journal of biomolecular structure & dynamics (24.11.2023)
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