| Global and reactivity descriptors studies of cyanuric acid tautomers in different solvents by using of density functional theory (DFT) NS Babu, D Jayaprakash International Journal of Science and Research 4 (6), 615-620, 2015 | 31 | 2015 |
| TD-DFT investigations on optoelectronic properties of fluorescein dye derivatives in dye-sensitized solar cells (DSSCs) JM Juma, SAH Vuai, NS Babu International Journal of Photoenergy 2019, 2019 | 30 | 2019 |
| DFT and TD-DFT studies for optoelectronic properties of coumarin based donor-π-acceptor (D-π-A) dyes: applications in dye-sensitized solar cells (DSSCS) SAH Vuai, MS Khalfan, NS Babu Heliyon 7 (11), 2021 | 27 | 2021 |
| Computational studies for inhibitory action of 2-mercapto-1-methylimidazole tautomers on steel using of density functional theory method (DFT) TV Kumar, J Makangara, C Laxmikanth, NS Babu Int. J. Comput. Theoret. Chem 4, 1-6, 2016 | 17 | 2016 |
| DFT studies of molecular structure, equilibrium constant for keto-enol tautomerism and geometrical isomerism (EZ) of 2-amino-1-phenylpropan-1-one (Cathinone) S Surendra Advances in Applied Science Research 4 (2), 147-153, 2013 | 13 | 2013 |
| Theoretical study of stability, tautomerism, equilibrium constants (pKT) of 2-thiouracil in gas phase and different solvents (water and acetonitrile) by the density functional … NS Babu Am. Chem. Sci. J 3 (2), 137-150, 2013 | 13 | 2013 |
| DFT and TD-DFT studies of new triphenylamine-based (D–A–D) donor materials for high-efficiency organic solar cells NS Babu Materials Advances 3 (8), 3526-3535, 2022 | 12 | 2022 |
| Computational Studies of Solvent Effects on Structure and Vibrational Spectra of iso Favonoid 5,7- Dihydroxy-3-(4-Hydroxyphenyl) chromen-4-one(Genistein) by Ab Intio HF and DFT … TA Lelisho Adv. Appl. Sci. Res 3 (6), 3916, 2012 | 10 | 2012 |
| Theoretical design of low bandgap donor–acceptor (DA) monomers for polymer solar cells: DFT and TD-DFT study SAH Vuai, NS Babu Designed Monomers and Polymers 24 (1), 125-137, 2021 | 9 | 2021 |
| Analysis of Selected Metals in Edible Fish and Bottom Sediment from Lake Hawassa, Ethiopia E Haile, S Tadesse, M Endale Elixir. J. Appl. Chem 82, 32610, 2015 | 9 | 2015 |
| Theoretical studies of optoelectronic and photovoltaic properties of D–A polymer monomers by Density Functional Theory (DFT) SAH Vuai DESIGNED MONOMERS AND POLYMERS 24 (1), 224-237, 2021 | 8 | 2021 |
| DFT and TD-DFT studies of 1, 3, 5-Tris (dipheny1amino) benzene derivatives based hole transport materials: application for perovskite solar cells NS Babu, IO Riwa Optical and Quantum Electronics 54 (6), 389, 2022 | 7 | 2022 |
| Designing of small organic non-fullerene (NFAs) acceptor molecules with an A− D− A framework for high-performance organic solar cells: A DFT and TD-DFT method SB Numbury Oxford Open Materials Science 2 (1), itac002, 2022 | 5 | 2022 |
| Donor− acceptor− donor (DAD) structural monomers as donor materials in polymer solar cells: a DFT/TDDFT approach NS Babu Designed Monomers and Polymers 24 (1), 330-342, 2021 | 5 | 2021 |
| Design, Synthesis, and Cytotoxic Evaluation of Etodolac-1, 3, 4-oxadiazole-1, 2, 3-triazole Molecules B Kummari, P Ramesh, N Polkam, S Malthum, M Vishnuvardhan, ... SynOpen 2 (01), 0017-0024, 2018 | 5 | 2018 |
| Optical and photovoltaic properties of substituted alizarin dyes for dye-sensitized solar cells application I Abubakari, NS Babu, S Vuai, J Makangara Energy Sources, Part A: Recovery, Utilization, and Environmental Effects 43 …, 2021 | 4 | 2021 |
| Computational and Electrochemical Studies on the Redox Reaction of for Quinoxalin-2(H)-One and Its Derivatives in Aqueous Solution S Tedesse, TA Lelisho J. Chem. Pharm. Res 5 (2), 61, 2013 | 4 | 2013 |
| Studies of New 2, 7‐Carbazole (CB) Based Donor‐Acceptor‐Donor (D‐A‐D) Monomers as Possible Electron Donors in Polymer Solar Cells by DFT and TD‐DFT Methods NS Babu ChemistryOpen 11 (2), e202100273, 2022 | 3 | 2022 |
| Density functional theory (DFT) studies of the stability of tautomers and equilibrium constants of cyanuric acid (CA) in different solvents ND Babu, D Jayaprakash J Chem Pharm Res 7, 1155-1160, 2015 | 3 | 2015 |
| Computational studies for oxidation reduction reactions of cinnoline-4 (1H)-one, in aqueous phase by density functional theory NS Babu British Journal of Applied Science & Technology 4 (3), 465-476, 2013 | 3 | 2013 |
Said A. H. VuaiProfessor of Chemistry, The University of DodomaVerified email at udom.ac.tz
