| Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li–Kr D Kao, K Withanage, T Hahn, J Batool, J Kortus, K Jackson The Journal of chemical physics 147 (16), 2017 | 49 | 2017 |
| Thermodynamic, electronic, and magnetic properties of intrinsic vacancy defects in antiperovskite Ca3SnO J Batool, SM Alay-e-Abbas, N Amin Journal of Applied Physics 123 (16), 2018 | 23 | 2018 |
| The role of intrinsic vacancy defects in the electronic and magnetic properties of Sr 3 SnO: a first-principles study J Batool, SM Alay-e-Abbas, A Ali, K Mahmood, S Akhtar, N Amin RSC advances 7 (12), 6880-6888, 2017 | 21 | 2017 |
| First-principles evaluation of electronic and optical properties of (Mo, C) codoped BaHfO3 for applications in photocatalysis S Akhtar, SM Alay-e-Abbas, SMG Abbas, MI Arshad, J Batool, N Amin Journal of Applied Physics 123 (16), 2018 | 13 | 2018 |
| Magnetic Signatures of Hydroxyl‐ and Water‐Terminated Neutral and Tetra‐Anionic Mn12‐Acetate J Batool, T Hahn, MR Pederson Journal of Computational Chemistry 40 (26), 2301-2308, 2019 | 12 | 2019 |
| Investigation of structural, electronic and optical properties of (V+ P)-doped BaZrO3 for photocatalytic applications using density functional theory S Akhtar, SM Alay-e-Abbas, J Batool, W Zulfiqar, A Laref, G Abbas, ... Journal of Physics and Chemistry of Solids 147, 109662, 2020 | 11 | 2020 |
| Effect of la ions on nickel-cadmium spinel ferrites synthesized by co-precipitation method MI Arshad, S Ikram, K Mahmood, A Ali, A Nabi, N Amin, F Jabeen J. Ovonic Res 14 (1), 27-34, 2018 | 9 | 2018 |
| Oxygen-vacancy-induced magnetism in anti-perovskite topological Dirac semimetal Ba 3 SnO J Batool, SM Alay-e-Abbas, G Johansson, W Zulfiqar, MA Danish, M Bilal, ... Physical Chemistry Chemical Physics 23 (43), 24878-24891, 2021 | 8 | 2021 |
| Rapid elemental analysis of human teeth using laser induced breakdown spectroscopy J Batool, N Amin, Y Jamil, NM Shaikh, S Al Islam Physica B: Condensed Matter 602, 412495, 2021 | 7 | 2021 |
| A study on dosimetric characterization of Direct Yellow 12 dye at high radiation γ-dose PP Lahore Bull. Korean Chem. Soc 33 (7), 2265, 2012 | 7 | 2012 |
| DFT insights into surface properties of anti-perovskite 3D topological crystalline insulators: A case study of (001) surfaces of Ca3SnO M Bilal, SM Alay-e-Abbas, M Sluydts, J Batool, A Laref, G Abbas, N Amin Physics Letters A 408, 127469, 2021 | 4 | 2021 |
| Orbital-dependent improvements to density-functional approximations: Application to highly charged molecular anions M Pederson, J Batool ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Impact of de- hydrogenation reactions on the electronic and magnetic structure of a molecular nanomagnet. MRP Javaria batool PIEAS journal of science and Engineering 1 (1), 2017 | | 2017 |
