| First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones S Muhammad, AG Al-Sehemi, Z Su, H Xu, A Irfan, AR Chaudhry Journal of Molecular Graphics and Modelling 72, 58-69, 2017 | 102 | 2017 |
| Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials S Muhammad, M Nakano, AG Al-Sehemi, Y Kitagawa, A Irfan, ... Nanoscale 8 (42), 17998-18020, 2016 | 89 | 2016 |
| Tuning the push–pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives S Muhammad, AG Al-Sehemi, A Irfan, AR Chaudhry Journal of Molecular Graphics and Modelling 68, 95-105, 2016 | 88 | 2016 |
| First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X= Cl, Br, and I) M Saeed, IU Haq, AS Saleemi, SU Rehman, BU Haq, AR Chaudhry, ... Journal of Physics and Chemistry of Solids 160, 110302, 2022 | 77 | 2022 |
| Electro-optical, nonlinear and charge transfer properties of naphthalene based compounds: a dual approach study A Irfan, A Kalam, AR Chaudhry, AG Al-Sehemi, S Muhammad Optik 132, 101-110, 2017 | 65 | 2017 |
| How does hybrid bridging core modification robust the nonlinear optical properties in donor‐π‐acceptor configuration? A case study of dinitrophenol derivatives S Muhammad, A Irfan, M Shkir, AR Chaudhry, A Kalam, S AlFaify, ... Journal of Computational Chemistry 36 (2), 118-128, 2015 | 59 | 2015 |
| Optoelectronic properties of new direct bandgap polymorphs of single-layered Germanium sulfide BU Haq, S AlFaify, A Laref, R Ahmed, FK Butt, AR Chaudhry, SU Rehman, ... Ceramics International 45 (14), 18073-18078, 2019 | 45 | 2019 |
| The impact of position and number of methoxy group (s) to tune the nonlinear optical properties of chalcone derivatives: a dual substitution strategy S Muhammad, AG Al-Sehemi, A Irfan, AR Chaudhry, H Gharni, S AlFaify, ... Journal of Molecular Modeling 22 (4), 1-9, 2016 | 40 | 2016 |
| First principles study of the n-channel thiophene based heterocyclic chalcones A Irfan, AG Al-Sehemi, AR Chaudhry, S Muhammad Optik 138, 349-358, 2017 | 38 | 2017 |
| Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubes S Muhammad, M Nakano, AG Al-Sehemi, A Irfan, AR Chaudhry, T Tonami, ... Nanoscale 10 (35), 16499-16507, 2018 | 37 | 2018 |
| p-type Cu3BiS3 thin films for solar cell absorber layer via one stage thermal evaporation A Hussain, JT Luo, P Fan, G Liang, Z Su, R Ahmed, N Ali, Q Wei, ... Applied Surface Science 505, 144597, 2020 | 35 | 2020 |
| The structural, electro-optical, charge transport and nonlinear optical properties of 2-[(3, 5-dimethyl-1-phenyl-1H-pyrazol-4-yl) methylidene] indan-1, 3-dione A Irfan, AG Al-Sehemi, AR Chaudhry, S Muhammad, AM Asiri Optik 127 (21), 10148-10157, 2016 | 35 | 2016 |
| Charge carrier and optoelectronic properties of phenylimidazo [1, 5-a] pyridine-containing small molecules at molecular and solid-state bulk scales A Irfan, AR Chaudhry, AG Al-Sehemi, MA Assiri, A Hussain Computational Materials Science 170, 109179, 2019 | 34 | 2019 |
| In-depth quantum chemical investigation of electro-optical and charge-transport properties of trans-3-(3, 4-dimethoxyphenyl)-2-(4-nitrophenyl) prop-2-enenitrile A Irfan, AG Al-Sehemi, S Muhammad, AR Chaudhry, MS Al-Assiri, R Jin, ... Comptes Rendus Chimie 18 (12), 1289-1296, 2015 | 33 | 2015 |
| Quantum chemical approach toward the electronic, photophysical and charge transfer properties of the materials used in organic field-effect transistors AR Chaudhry, R Ahmed, A Irfan, A Shaari, AG Al-Sehemi Materials Chemistry and Physics 138 (2-3), 468-478, 2013 | 33 | 2013 |
| Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies M Zia, S Muhammad, S Bibi, SW Abbasi, AG Al-Sehemi, AR Chaudhary, ... Bioorganic & Medicinal Chemistry Letters 43, 128079, 2021 | 31 | 2021 |
| Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: a first-principles study A Irfan, AR Chaudhry, S Muhammad, AG Al-Sehemi Journal of Molecular Graphics and Modelling 75, 209-219, 2017 | 31 | 2017 |
| The structural, electro-optical, charge transport and nonlinear optical properties of oxazole (4Z)-4-Benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one derivative A Irfan, AG Al-Sehemi, AR Chaudhry, S Muhammad Journal of King Saud University 30 (1), 75-82, 2018 | 30 | 2018 |
| Optoelectronic properties of naphtho [2, 1-b: 6, 5-b′] difuran derivatives for photovoltaic application: a computational study AR Chaudhry, R Ahmed, A Irfan, M Mohamad, S Muhammad, B Ul Haq, ... Journal of molecular modeling 22, 1-13, 2016 | 29 | 2016 |
| The effect of anchoring groups on the electro-optical and charge injection in triphenylamine derivatives@Ti6O12 A Irfan, S Muhammad, AG Al-Sehemi, MS Al-Assiri, A Kalam, ... Journal of Theoretical and Computational Chemistry 14 (04), 1550027, 2015 | 28 | 2015 |
Irfan AhmadProfessor of Chemistry, King Khalid UniversityVerified email at kku.edu.sa
