| Scavenging malachite green dye from aqueous solutions using pomelo (Citrus grandis) peels: kinetic, equilibrium and thermodynamic studies OS Bello, MA Ahmad, B Semire Desalination and Water Treatment 56 (2), 521-535, 2015 | 58 | 2015 |
| Effect of amine spacer of PEG on the properties, performance and antifouling behavior of poly (piperazineamide) thin film composite nanofiltration membranes prepared by in situ … RM Gol, A Bera, S Banjo, B Ganguly, SK Jewrajka Journal of membrane science 472, 154-166, 2014 | 49 | 2014 |
| Molecular docking and ADMET studies of Allium cepa, Azadirachta indica and Xylopia aethiopica isolates as potential anti-viral drugs for Covid-19 PI Adegbola, B Semire, OS Fadahunsi, AE Adegoke VirusDisease 32 (1), 85-97, 2021 | 42 | 2021 |
| Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT, QSAR and … RO Oyewole, AK Oyebamiji, B Semire Heliyon 6 (5), 2020 | 42 | 2020 |
| Equilibrium, kinetic, and quantum chemical studies on the adsorption of Congo red using Imperata cylindrica leaf powder activated carbon OS Bello, S Banjo Toxicological & Environmental Chemistry 94 (6), 1114-1124, 2012 | 39 | 2012 |
| Electronic and optical properties’ tuning of phenoxazine-based D-A2-π-A1 organic dyes for dye-sensitized solar cells. DFT/TDDFT investigations SO Afolabi, B Semire, MA Idowu Heliyon 7 (4), 2021 | 36 | 2021 |
| Tailoring of energy levels in (2Z)-2-cyano-2-[2-[(E)-2-[2-[(E)-2-(p-tolyl)vinyl]thieno[3,2-b]thiophen-5-yl]vinyl]pyran-4-ylidene]acetic acid derivatives via conjugate … B Semire, AK Oyebamiji, OA Odunola Research on Chemical Intermediates 43, 1863-1879, 2017 | 31 | 2017 |
| Design and theoretical study of phenothiazine-based low bandgap dye derivatives as sensitizers in molecular photovoltaics SO Afolabi, B Semire, OK Akiode, TA Afolabi, GA Adebayo, MA Idowu Optical and Quantum Electronics 52, 1-18, 2020 | 26 | 2020 |
| Biological Activity of Selected Compounds from Annona muricata Seed as Antibreast Cancer Agents: Theoretical Study AK Oyebamiji, GF Tolufashe, OM Oyawoye, TA Oyedepo, B Semire Journal of Chemistry 2020 (1), 6735232, 2020 | 26 | 2020 |
| Electronic properties’ modulation of D–A–A via fluorination of 2-cyano-2-pyran-4-ylidene-acetic acid acceptor unit for efficient DSSCs: DFT-TDDFT approach B Semire, AK Oyebamiji, OA Odunola Scientific African 7, e00287, 2020 | 25 | 2020 |
| Quantum study on the optoelectronic properties and chemical reactivity of phenoxazine-based organic photosensitizer for solar cell purposes SO Afolabi, B Semire, OK Akiode, MA Idowu Theoretical Chemistry Accounts 141 (4), 22, 2022 | 23 | 2022 |
| Dataset on the DFT-QSAR, and docking approaches for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against human esophageal carcinoma (EC-109) RO Adegoke, AK Oyebamiji, B Semire Data in brief 31, 105963, 2020 | 20 | 2020 |
| Theoretical studies of anti-corrosion properties of triphenylimidazole derivatives in corrosion inhibition of carbon steel in acidic media via DFT approach OA Kolawole, S Banjo ANALYTICAL & BIOANALYTICAL ELECTROCHEMISTRY 10 (1), 136-146, 2018 | 20 | 2018 |
| Design of (2Z)-2-cyano-2-[2-[(E)-2-[5-[(E)-2-(4-dimethylaminophenyl) vinyl]-2-thienyl] vinyl] pyran-4-ylidene] acetic acid derivatives as D-π-A dye sensitizers in molecular … B Semire, A Oyebamiji, OA Odunola Research on Chemical Intermediates 42, 4605-4619, 2016 | 19 | 2016 |
| DFT and QSAR study of corrosion inhibition on 3, 5-di-substituted pyrazole derivatives with heteroatom on position one MO Abdulazeez, AK Oyebamiji, B Semire Lebanese Science Journal 17 (2), 217-232, 2016 | 18 | 2016 |
| In silico studies of Potency and safety assessment of selected trial drugs for the treatment of COVID-19 PI Adegbola, OS Fadahunsi, AE Adegbola, B Semire In Silico Pharmacology 9, 1-12, 2021 | 17 | 2021 |
| Theoretical Study on Structure and Electronic Properties of 2, 5-Bis [4-N, N-Diethylaminostyryl] Thiophene and Its Furan and Pyrrole Derivatives Using Density Functional Theory … B Semire, A Oyebamiji, M Ahmad Pakistan Journal of Chemistry 2 (4), 166-173, 2012 | 17 | 2012 |
| Dataset on insightful bio-evaluation of 2-(quinoline-4-yloxy) acetamide analogues as potential anti-Mycobacterium tuberculosis catalase-peroxidase agents via in silico mechanisms AK Oyebamiji, OM Josiah, SA Akintelu, MD Adeoye, BO Sabitu, ... Data in Brief 38, 107441, 2021 | 16 | 2021 |
| Studies of 1, 4-dihydropyridine derivatives for anti-breast cancer (MCF-7) activities: Combinations of DFT-QSAR and docking methods OK Abel, S Banjo New York Sci. J 9 (6), 58-66, 2016 | 15 | 2016 |
| DFT-QSAR studies on corrosion inhibition efficiency of derivatives of thiadiazole, oxadiazole and triazole MO Abdulazeez, AK Oyebamiji, B Semire International Journal of Corrosion and Scale Inhibition 5 (3), 248-262, 2016 | 15 | 2016 |
Olusegun OdunolaLadoke Akintola University of Technology在 lautech.edu.ng 的电子邮件经过验证
