Terkumbur E. Gber

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 et al. · Chemical Physics Impact · 2022 · 118 citations · Full text

Natural Sciences, Chemistry, Oncology +17

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

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

Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS₂for NH₃gas detection

Terkumbur E. Gber, Hitler Louis, Aniekan E. Owen et al. · RSC Advances · 2022 · 98 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

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