| Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based ionic … JA Agwupuye, H Louis, TO Unimuke, P David, EI Ubana, YL Moshood Journal of Molecular Liquids 337, 116458, 2021 | 77 | 2021 |
| Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3, 6-difluoro-p-xylene, 3, 6-dichloro-p-xylene and 3, 6-dibromo-pxylene: DFT study EA Bisong, H Louis, TO Unimuke, JO Odey, EI Ubana, MM Edim, FT Tizhe, ... Heliyon 6 (12), 2020 | 52 | 2020 |
| Synthesis, spectroscopic, DFT study, and molecular modeling of thiophene-carbonitrile against enoyl-ACP reductase receptor TN Ntui, EE Oyo-Ita, JA Agwupuye, I Benjamin, IJ Eko, EI Ubana, ... Chemistry Africa 6 (2), 945-966, 2023 | 21 | 2023 |
| Evaluation of the bound state energies of some diatomic molecules from the approximate solutions of the Schrodinger equation with Eckart plus inversely quadratic Yukawa potential BI Ita, H Louis, EI Ubana, PE Ekuri, CU Leonard, NI Nzeata Journal of Molecular Modeling 26, 1-7, 2020 | 8 | 2020 |
| Synthesis, characterization and theoretical studies of the photovoltaic properties of novel bifunctional reactive disperse dyes based on aminothiazole derivatives JO Odey, EI Ubana, IJ Eko, OO Jones Journal of Molecular Structure 1269, 133749, 2022 | 4 | 2022 |
| Electronic structure theory study of the reactivity and structural molecular properties of halo-substituted (F, Cl, Br) and heteroatom (N, O, S) doped<? index value=" doped … MM Edim, H Louis, EA Bisong, AG Chioma, OC Enudi, TO Unimuke, ... Physical Sciences Reviews 8 (6), 715-739, 2023 | 3 | 2023 |
| DFT Study of the Structural, Electronic, Bonding Nature, NBO Analysis, and Thermodynamic Properties of Halogenated (F, Cl, Br) and Heteroatom (O, N, S) doped Cyclopropane E Ubana, H Louis, OC Enudi, MM Edim, P David, BI Ita | | 2020 |
| Thermodynamic Properties and Bound State Solutions of Schrodinger Equation with Inversely Quadratic Yukawa/Attractive Coulomb Potential Plus a Modified Kratzer Potential EI Ubana, BI Ita, IN Nzeata Attractive Coulomb Potential Plus a Modified Kratzer Potential, 0 | | |
