Tomsmith O. Unimuke

Understanding the lithiation mechanisms of pyrenetetrone-based carbonyl compound as cathode material for lithium-ion battery: Insight from first principle density functional theory

Hitler Louis, Terkumbur E. Gber, Fredrick C. Asogwa et al. · Materials Chemistry and Physics · 2021 · 112 citations

Natural Sciences, Chemistry, Materials Science +14

Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based ionic liquids

John A. Agwupuye, Hitler Louis, Tomsmith O. Unimuke et al. · Journal of Molecular Liquids · 2021 · 109 citations

Natural Sciences, Chemistry, Physics +15

RETRACTED: Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM

Ededet A. Eno, Hitler Louis, Tomsmith O. Unimuke et al. · Journal of Ionic Liquids · 2022 · 103 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies

Innocent Benjamin, Akaninyene D. Udoikono, Hitler Louis et al. · Journal of Molecular Structure · 2022 · 101 citations

Pharmacy, Medicinal Chemistry, Pharmacology +16

Modeling of Ca12O12, Mg12O12, and Al12N12 nanostructured materials as sensors for phosgene (Cl2CO)

Hitler Louis, Ismail O. Amodu, Tomsmith O. Unimuke et al. · Materials Today Communications · 2022 · 92 citations

Natural Sciences, Materials Engineering, Materials Science +12