| First Principles Study of Electronic and Nonlinear Optical Properties of A-D–π–A and D-A-D–π–A Configured Compounds Containing Novel Quinoline-Carbazole Derivatives MSA Muhammad Khalid, Akbar Ali, Rifat Jawaria, Muhammad Adnan Asghar ... RSC Advances 10, 22273–22283, 2020 | 170 | 2020 |
| Emerging approaches for the synthesis of triazoles: beyond metal-catalyzed and strain-promoted azide–alkyne cycloaddition CGS Lima, A Ali, SS van Berkel, B Westermann, MW Paixão Chemical Communications 51, 10784-10796, 2015 | 143 | 2015 |
| An efficient one-pot strategy for the highly regioselective metal-free synthesis of 1, 4-disubstituted-1, 2, 3-triazoles A Ali, AG Corrêa, D Alves, J Zukerman-Schpector, B Westermann, ... Chemical Communications 50 (80), 11926-11929, 2014 | 104 | 2014 |
| NLO potential exploration for D–π–A heterocyclic organic compounds by incorporation of various π-linkers and acceptor units M Khalid, MU Khan, I Shafiq, R Hussain, K Mahmood, A Hussain, ... Arabian Journal of Chemistry 14 (8), 103295, 2021 | 101 | 2021 |
| Tris (trimethylsilyl) silane and visible-light irradiation: a new metal-and additive-free photochemical process for the synthesis of indoles and oxindoles GP da Silva, A Ali, RC da Silva, H Jiang, MW Paixao Chemical Communications 51 (82), 15110-15113, 2015 | 77 | 2015 |
| Efficient Synthesis, SC-XRD, and Theoretical Studies of O-Benzenesulfonylated Pyrimidines: Role of Noncovalent Interaction Influence in Their Supramolecular Network A Ali, M Khalid, MF Rehman, S Haq, A Ali, MN Tahir, M Ashfaq, F Rasool, ... ACS omega 5, 15115−15128, 2020 | 75 | 2020 |
| DFT and Single Crystal Analysis of the Pyrimethamine-Based Novel Co-crystal Salt: 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidin-1-ium:4-hydroxybenzoate:methanol:hydrate,(1:1 … MKAA Muhammad Ashfaq, Muhammad Nawaz Tahir, Shafaat Hussain Mirza, Aleksey ... Journal of Molecular Structure 1199, 127041, 2019 | 71* | 2019 |
| Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5-trihydroxybenzoate -methanol (DETM) AACB Muhammad Nawaz Tahir, Shafaat Hussain Mirza, Muhammad Khalid, Akbar Ali ... Journal of Molecular Structure 1180, 119-126, 2019 | 69 | 2019 |
| Structural parameters, electronic, linear and nonlinear optical exploration of thiopyrimidine derivatives: A comparison between DFT/TDDFT and experimental study AGASAS Ajaz Hussain, Muhammad Usman Khan, Muhammad Ibrahim, Muhammad Khalid ... Journal of Molecular Structure 1201, 127183, 2020 | 67 | 2020 |
| Designing Star-Shaped Subphthalocyanine-Based Acceptor Materials with Promising Photovoltaic Parameters for Non-fullerene Solar Cells MU Khan, M Khalid, MN Arshad, MN Khan, M Usman, A Ali, B Saifullah ACS Omega 5 (36), 23039–23052, 2020 | 66 | 2020 |
| Rationalizing the stability and interactions of 2, 4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-hydroxy-3, 5-dinitrobenzoate salt MN Tahir, M Ashfaq, F Alexander, J Caballero, EW Hernández-Rodríguez, ... Journal of Molecular Structure 1193, 185-194, 2019 | 65 | 2019 |
| Exploration of Noncovalent Interactions, Chemical Reactivity, and Nonlinear Optical Properties of Piperidone Derivatives: A Concise Theoretical Approach M Khalid, A Ali, MFU Rehman, M Mustaqeem, S Ali, MU Khan, S Asim, ... ACS Omega 5, 13236−13249, 2020 | 64 | 2020 |
| Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives M Ashfaq, MN Tahir, S Muhammad, KS Munawar, A Ali, G Bogdanov, ... ACS Omega 46 (6), 31211–31225, 2021 | 63 | 2021 |
| Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies AACB SobiaTariq, Abdul Rauf Raza, Muhammad Khalid, Syeda Laila Rubab ... Journal of Molecular Structure, 127438, 2020 | 63 | 2020 |
| Persistent prevalence of supramolecular architectures of novel ultrasonically synthesized hydrazones due to hydrogen bonding [X–H⋯ O; X= N]: Experimental and density functional … M Khalid, A Ali, S Asim, MN Tahir, MU Khan, LCC Vieira, F Alexander, ... Journal of Physics and Chemistry of Solids 148, 109679, 2021 | 62 | 2021 |
| Facile Ultrasound‐Based Synthesis, SC‐XRD, DFT Exploration of the Substituted Acyl‐Hydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry AA Muhammad Khalid, Akbar Ali, Saba Abid, Muhammad Nawaz Tahir, Muhammad ... ChemistrySelect 5 (47), 14844-14856, 2020 | 62 | 2020 |
| Structural modulation of π-conjugated linkers in D–π–A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties M Khalid, MU Khan, I Shafiq, R Hussain, A Ali, M Imran, AAC Braga, ... Royal Society Open Science 8 (8), 210570, 2021 | 61 | 2021 |
| Facile preparation, characterization, SC-XRD and DFT/DTDFT study of diversely functionalized unsymmetrical bis-aryl-α, β-unsaturated ketone derivatives MUK Muhammad Khalid, Akbar Ali, Muhammad Adeel, Zia Ud Din, Muhammad ... Journal of Molecular Structure 1206, 127755, 2020 | 58 | 2020 |
| Synthesis of Diaminopyrimidine Sulfonate Derivatives and Exploration of Their Structural and Quantum Chemical Insights via SC-XRD and the DFT Approach A Ali, M Khalid, MN Tahir, M Imran, M Ashfaq, R Hussain, MA Assiri, ... ACS Omega 6, 7047−7057, 2021 | 54 | 2021 |
| Single crystal investigation, Hirshfeld surface analysis and DFT exploration of the pyrimethamine-based novel organic salt: 2, 4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1 … M Ashfaq, G Bogdanov, V Glebov, A Ali, MN Tahir, S Abdullah Journal of Molecular Structure 1224, 129309, 2021 | 54 | 2021 |
Dr. Muhammad Nawaz TahirDepartment of Physics, University of Sargodha, Pakistanכתובת אימייל מאומתת בדומיין uos.edu.pk
