T
T. Gber
Publications - 52
Citations - 675
T. Gber is an academic researcher. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 15, co-authored 52 publications receiving 675 citations.
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Journal ArticleDOI
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.
Fredrick C. Asogwa,Ernest C. Agwamba,Hitler Louis,Maryjane C. Muozie,I Benjamin,T. Gber,Gideon E. Mathias,Adedabo S. Adeyinka,A. I. Ikeuba +8 more
TL;DR: In this article , the authors used density functional theory (DFT) calculations and molecular docking of the chemical N-(1H-pyrrol-2-yl) methylene)-4-methylaniline (PMMA) for the treatment of castration-resistant prostate cancer.
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Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS2 for NH3 gas detection
T. Gber,Hitler Louis,A Owen,Benjamin E. Etinwa,I Benjamin,Fredrick C. Asogwa,M. M. Orosun,Ededet A. Eno +7 more
TL;DR: In this paper , the P@MoS2-QD surface was investigated using density functional theory (DFT) computation to understand their mechanistic sensing ability, such as conductivity, selectivity, and sensitivity toward NH3 gas.
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Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM
Ededet A. Eno,Hitler Louis,Tomsmith O. Unimuke,T. Gber,Idongesit Justina Mbonu,Chinwendu J. Ndubisi,Stephen Adie Adalikwu +6 more
TL;DR: In this paper , the authors investigated the structural stability, reactivity, topological analysis, and thermodynamics of 4-methylpridine (4-picoline) based ILs using an advanced computational electronic structure theory technique based on first principle density functional theory.
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Antimicrobial activities of 1-phenyl-3-methyl-4-trichloroacetyl-pyrazolone: Experimental, DFT studies, and molecular docking investigation
Ededet A. Eno,Justina I. Mbonu,Hitler Louis,Faith S. Patrick-Inezi,T. Gber,Tomsmith O. Unimke,Emmanuel E. D. Okon,I Benjamin,Offiong E. Offiong +8 more
TL;DR: In this article , first principle density functional theory (DFT) along with molecular docking approach were utilized for the investigation of 1-phenyl-3-methyl-4-trichloroacetyl-pyrazolone-5 (HTcP) to address some factors that are linked to this phenomenon.
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Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)
Hitler Louis,Destiny E. Charlie,Ismail O. Amodu,I Benjamin,T. Gber,Ernest C. Agwamba,Adedapo S. Adeyinka +6 more
TL;DR: In this paper , the authors investigated the adsorption performances of various metal-doped fullerene surfaces on thiourea [SC(NH2)2] molecule using first-principles density functional theory computation.