| Molecular modeling of the spectroscopic, structural, and bioactive potential of tetrahydropalmatine: insight from experimental and theoretical approach W Emori, H Louis, SA Adalikwu, RA Timothy, CR Cheng, TE Gber, ... Polycyclic Aromatic Compounds 43 (7), 5958-5975, 2023 | 45 | 2023 |
| Elucidation of collagen amino acid interactions with metals (B, Ni) encapsulated graphene/PEDOT material: insight from DFT calculations and MD simulation RA Timothy, H Louis, EA Adindu, TE Gber, EC Agwamba, OE Offiong, ... Journal of Molecular Liquids 390, 122950, 2023 | 18 | 2023 |
| Understanding the influence of alkyl-chains and hetero-atom (C, S, O) doped electron-acceptor fullerene-free benzothiazole for application in organic solar cell: first … H Louis, EA Eno, RA Timothy, EC Agwamba, TO Unimuke, PT Bukie, ... Optical and Quantum Electronics 54 (11), 681, 2022 | 14 | 2022 |
| Theoretical modelling of the structure, reactivity, and the application of Co (II), Cu (II), and Ni (II) Schiff base complexes as sensor materials for phosgene (COCl2) gas C Ngwang, F Majoumo-Mbe, EN Nfor, M Akongwi, HO Edet, EA Afu, ... Chemical Physics Impact 7, 100352, 2023 | 6 | 2023 |
| Investigating the structure, bonding, and energy decomposition analysis of group 10 transition metal carbonyls with substituted terminal germanium chalcogenides [M (CO) 3Ge X … RR Priyadharsan, RA Timothy, JM Thomas, TC Jeyakumar, R Rajaram, ... Journal of Molecular Modeling 29 (11), 344, 2023 | 5 | 2023 |
| Theoretical Investigation of Single‐Atoms Encapsulated by Fullerenes (C59X: X= As, Ga, Ge) as Biosensors For Uric Acid (UA) RA Timothy, EED Okon, TE Gber, NA Onwuabusim, NA Obianuju, ... ChemistrySelect 8 (42), e202303442, 2023 | 3 | 2023 |
| X-ray diffraction, Structural analysis, Quantum reactivity studies, molecular interactions, spectroscopic insights and antiepileptic activities of [Cu (C7N4H8O2) 2 (NO3)(H2O) 2 … W Nbili, RA Timothy, GI Abubakar, H Louis, W Kamisky, CB Nasr, K Kaabi Journal of Molecular Structure, 137933, 2024 | 1 | 2024 |
| The iron group transition-metal (Fe, Ru, Os) coordination of Se-doped graphitic carbon (Se@ gC 3 N 4) nanostructures for the smart therapeutic delivery of zidovudine (ZVD) as … FA Nelson, H Louis, I Benjamin, RA Timothy RSC advances 13 (48), 34078-34096, 2023 | 1 | 2023 |
| Modeling of Dipeptide Sulfonamides as Anti-Plasmodial Drugs: Synthesis, Characterization, DFT and In Silico Studies OC Ekoh, RA Timothy, FC Asogwa, TE Gber, AI Ikeuba, DI Ugwu, H Louis Chemistry Africa, 1-13, 2024 | | 2024 |
| Unraveling the inhibitory potential of fatty acids from Cola lepidota seed against monoclonal antibody Fab fragment (9F8) (3VG0) leptin antagonism and restoration … OC Godfrey, EA Adindu, UO Edet, EN Mbim, GC Eze, FC Asogwa, ... Zeitschrift für Physikalische Chemie, 2024 | | 2024 |
| Single-crystal X-ray, spectroscopy, quantum chemical calculations, and molecular docking investigation of ruthenium (II) polypyridyl complexes of curcumin as a potential … AO Rajee, JA Obaleye, H Louis, AA Aliyu, A Lawal, IO Amodu, ... Chemical Papers 78 (3), 1567-1583, 2024 | | 2024 |
| First-principles study of structure and bonding in Ni-group transition metal carbonyls with terminal tin chalcogenides [M(CO)3SnX] (M = Ni, Pd, Pt; X = O, S, Se … R Akshayan, PM Utsu, J Sabariraja, RA Timothy, GI Abubakar, ... Molecular Physics, e2289598, 2023 | | 2023 |
| Insight into the crystal structure analysis, vibrational studies, reactivities (MESP, HOMO-LUMO, NBO), and the anticancer activities of ruthenium diazide [Ru (POP)(PPh3)(N3) 2 … TC Jeyakumar, RA Timothy, OC Godfrey, R Rajaram, EC Agwamba, ... Inorganic Chemistry Communications 158, 111714, 2023 | | 2023 |
| vegetation history of an Amazonian domed peatland J Thomas, T Ian, H Katherine, R Timothy, D Timothy, K Nicole Palaeogeography, palaeoclimatology, palaeoecology 468, 2017 | | 2017 |
