Anna Imojara

Influence of solvation on the spectral, molecular structure, and antileukemic activity of 1-benzyl-3-hydroxy-2-methylpyridin-4(1H)-one

Frederick P. Malan, A. Manicum, T. Unimuke, 2022, Journal of Molecular Liquids.

Synthesis, Spectroscopic, DFT Study, and Molecular Modeling of Thiophene-Carbonitrile Against Enoyl-ACP Reductase Receptor

I. Benjamin, Emmanuel I. Ubana, I. J. Eko, 2022, Chemistry Africa.

Molecular Modeling of Cu(II), Zn(II), and Hg(II) Metal Complexes of (E)-Benzo[d][1,3-dioxol-6-ylimino)methyl-4-bromophenol Schiffbase as Potential Antibacterial Agent

T. Gber, Uzitem J. Undiandeye, H. Louis, 2023, Chemistry Africa.

Trapping of dichlorosilane (H2SiCl2) gas by transition metals doped fullerene nanostructured materials

Adedapo S. Adeyinka, A. Akinterinwa, I. Benjamin, 2023, Journal of the Indian Chemical Society.

Spectroscopic Study, Hirshfeld Surface, DFT, In-Silico Molecular Docking and ADMET Studies of 2,6-Bis(4-Chlorophenyl)-3,3-Dimethylpiperidin-4-One (BCDP): a Potent Antiviral Agent

Arulraj Ramalingam, Sivakumar Sambandam, Gideon E. Mathias, 2023, SSRN Electronic Journal.

Quantum chemical studies, spectroscopic NMR and FT-IR analysis, and molecular docking investigation of 3,3′-di-O-methyl ellagic acid (DMA) as a potent Mycobacterium tuberculosis agent

A. Manicum, E. Mbim, M. Shagal, 2023, Results in Chemistry.

Molecular simulation of Cu, Ag, and Au-decorated Molybdenum doped graphene nanoflakes as biosensor for carmustine, an anticancer drug

Adedapo S. Adeyinka, I. Benjamin, H. Louis, 2023, Materials Science in Semiconductor Processing.

Spectral (FT-IR, NMR, UV) characterization, DFT studies, and molecular docking of hydrazine derivatives as antiviral agent for yellow fever (YFV)

A. Manicum, Henry O. Edet, Emmanuel E. D. Okon, 2023, Journal of Molecular Structure.

Phosphorus encapsulated gallium nitride and aluminum nitride nanotubes as nonenzymatic sensors for fructose, glucose, and xylose sugars as biomarkers for diabetes-mellitus: Outlook from Computational study

Henry O. Edet, T. Gber, Anthony M. S. Pembere, 2023, Chemical Physics Impact.