| Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials AU Hassan, A Mohyuddin, C Güleryüz, S Nadeem, NK Nkungli, ... Structural Chemistry 34 (2), 399-412, 2023 | 33 | 2023 |
| Structural and electronic (absorption and fluorescence) properties of a stable triplet diphenylcarbene: a DFT study AU Hassan, A Mohyuddin, S Nadeem, C Güleryüz, SU Hassan, M Javed, ... Journal of Fluorescence 32 (5), 1629-1638, 2022 | 30 | 2022 |
| A DFT study on new photovoltaic dyes to investigate their NLO tuning at near infrared region (NIR) as pull–push effect by end capped acceptors AU Hassan, SH Sumrra, MF Nazar, C Güleryüz Journal of Fluorescence 33 (1), 239-253, 2023 | 25 | 2023 |
| Theoretical evaluation of the permeability of discharge item (LiOOH) in Li-O-2 batteries AU Hassan, C Guleryuz Latin American Applied Research 51 (3), 153-157, 2021 | 23 | 2021 |
| Doped Graphene Quantum Dots UV–vis Absorption Spectrum: A High-Throughput TDDFT Study S Özönder, C Ünlü, C Güleryüz, L Trabzon ACS Omega 8 (2), 2112−2118, 2023 | 21 | 2023 |
| DFT-guided structural modeling of end-group acceptors at Y123 core for sensitizers as high-performance organic solar dyes and NLO responses AU Hassan, SH Sumrra, M Zafar, A Mohyuddin, S Noreen, C Güleryüz Journal of Molecular Modeling 29 (8), 262, 2023 | 19 | 2023 |
| Structural order and charge transfer in highly strained carbon nanobelts G Aydın, O Koçak, C Güleryüz, I Yavuz New Journal of Chemistry 44 (36), 15769-15775, 2020 | 17 | 2020 |
| Theoretical probing of 3d nano metallic clusters as next generation non-linear optical materials AU Hassan, SH Sumrra, NK Nkungli, C Güleryüz Results in Chemistry 4, 100627, 2022 | 11 | 2022 |
| Excited state dependent fast switching NLO behavior investigation of sp2 hybridized donor crystal as D-π-A push–pull switches C Güleryüz, SH Sumrra, AU Hassan, NK Nkungli, MS Muhsan, ... Results in Chemistry 7, 101382, 2024 | 4 | 2024 |
| Computational designing of deferiprone based novel drugs as efficient anti-parkinson agents AU HASSAN, NK NKUNGLI, C GULERYUZ Latin American Applied Research 53 (2), 157-162, 2023 | 4 | 2023 |
| Molecular engineering on tyrian puprle natural dye as TiO2 based fined tuned photovoltaic dye material: DFT molecular analysis C Güleryüz, DM Hasan, MA Awad, AS Waheeb, AU Hassan, A Mohyuddin, ... Journal of Molecular Graphics and Modelling 134, 108894, 2025 | 3 | 2025 |
| Evaluating the electronic and structural basis of carbon selenide-based quantum dots as photovoltaic design materials: A DFT and ML analysis AM Kadhum, AS Waheeb, MA Awad, AU Hassan, SH Sumrra, C Güleryüz, ... Solar Energy 284, 113068, 2024 | 3 | 2024 |
| A machine learning and DFT assisted analysis of benzodithiophene based organic dyes for possible photovoltaic applications C Güleryüz, SH Sumrra, AU Hassan, A Mohyuddin, AS Waheeb, ... Journal of Photochemistry and Photobiology A: Chemistry 460, 116157, 2025 | 2 | 2025 |
| Exploring structural basis of photovoltaic dye materials to tune power conversion efficiencies: A DFT and ML analysis of Violanthrone SH Sumrra, C Güleryüz, AU Hassan, ZA Abass, TM Hanoon, ... Materials Chemistry and Physics 332, 130196, 2025 | 1 | 2025 |
| Benzothiophene semiconductor polymer design by machine learning with low exciton binding energy: A vast chemical space generation for new structures SH Mallah, C Güleryüz, SH Sumrra, AU Hassan, H Güleryüz, ... Materials Science in Semiconductor Processing 190, 109331, 2025 | | 2025 |
| Exploring the structural basis of crystals that affect nonlinear optical responses: an experimental and machine learning quest AU Hassan, C Güleryüz, IH El Azab, AY Elnaggar, MHH Mahmoud Optical Materials, 116783, 2025 | | 2025 |
| Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties C Güleryüz, SH Sumrra, A Mohyuddin, AU Hassan, A Dahshan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 326, 125244, 2025 | | 2025 |
| On the quest for solar energy harvesters and nonlinear optics: a DFT exploration of A-D-D-A framework with varying sp2 hybridization C Güleryüz, MMU Rehman, AU Hassan, ZA Abass, A Mohyuddin, M Zafar, ... Journal of Computational Electronics 24 (1), 25, 2025 | | 2025 |
| A fast and efficient machine learning assisted prediction of urea and its derivatives to screen crystal propensity with experimental validation C Güleryüz, SH Sumrra, AU Hassan, A Mohyuddin, S Noreen, ... Materials Today Communications, 111692, 2025 | | 2025 |
| A machine learning and data-oriented quest to screen the degree of long-range order/disorder in polymeric materials C Güleryüz, SH Sumrra, AU Hassan, A Mohyuddin, MHH Mahmoud Materials Today Communications, 111624, 2025 | | 2025 |
Dr. Sajjad Hussain SumrraTenured Associate Professor, Department of Chemistry, University of Gujrat, Gujrat, PakistanDirección de correo verificada de uog.edu.pk