| Sensing of CO and NO on Cu-Doped MoS2 Monolayer-Based Single Electron Transistor: A First Principles Study A Sharma, MS Khan, M Husain, MS Khan, A Srivastava IEEE Sensors Journal 18 (7), 2853-2860, 2018 | 72 | 2018 |
| Facile synthesis of chalcone derivatives as antibacterial agents: Synthesis, DNA binding, molecular docking, DFT and antioxidant studies R Arif, M Rana, S Yasmeen, MS Khan, M Abid, MS Khan Journal of Molecular Structure 1208, 127905, 2020 | 61 | 2020 |
| Synthesis S Khan, H Ullah, R Hussain, Y Khan, MU Khan, M Khan, A Sattar, ... Vitro Bio-evaluation, and Molecular Docking Study of Thiosemicarbazone-based …, 2023 | 47 | 2023 |
| Unique electron transport in ultrathin black phosphorene: Ab-initio study A Srivastava, MS Khan, SK Gupta, R Pandey Applied Surface Science 356, 881-887, 2015 | 37 | 2015 |
| Synthesis, characterization, molecular docking, DNA binding, cytotoxicity and DFT studies of 1-(4-methoxyphenyl)-3-(pyridine-3-ylmethyl) thiourea M Mushtaque, M Jahan, M Ali, MS Khan, MS Khan, P Sahay, A Kesarwani Journal of Molecular Structure 1122, 164-174, 2016 | 35 | 2016 |
| NH3 and PH3 adsorption through single walled ZnS nanotube: First principle insight MS Khan, A Srivastava, R Chaurasiya, MS Khan, P Dua Chemical Physics Letters 636, 103-109, 2015 | 30 | 2015 |
| Electronic properties of a pristine and NH 3/NO 2 adsorbed buckled arsenene monolayer MS Khan, A Srivastava, R Pandey RSC advances 6 (76), 72634-72642, 2016 | 28 | 2016 |
| NH3 and NO2 adsorption analysis of GaN nanotube: A First principle investigation MS Khan, A Srivastava Journal of Electroanalytical Chemistry 775, 243-250, 2016 | 26 | 2016 |
| Retracted: Computational study of hydrogen adsorption on potassium-decorated boron nitride nanotubes MS Khan, MS Khan International Nano Letters 2, 1-7, 2012 | 20* | 2012 |
| Ab initio study of molybdenum sulfo-selenides alloy as a flexible anode for sodium-ion batteries A Sharma, MS Khan, MS Khan, M Husain Applied Surface Science 536, 147973, 2021 | 18 | 2021 |
| Quantum capacitance estimations of pyrrolic-rich graphene for supercapacitor electrodes B SanthiBhushan, MS Khan, VK Bohat, A Srivastava IEEE Transactions on Nanotechnology 17 (2), 205-211, 2017 | 18 | 2017 |
| Electron transport properties of a single-walled carbon nanotube in the presence of hydrogen cyanide: first-principles analysis A Srivastava, V Sharma, K Kaur, MS Khan, R Ahuja, VK Rao Journal of molecular modeling 21, 1-7, 2015 | 18 | 2015 |
| Synthesis, stereochemistry determination, pharmacological studies and quantum chemical analyses of bisthiazolidinone derivative M Mushtaque, F Avecilla, ZB Hafeez, M Jahan, MS Khan, MMA Rizvi, ... Journal of Molecular Structure 1127, 99-113, 2017 | 17 | 2017 |
| Influence of boron substitution on conductance of pyridine-and pentane-based molecular single electron transistors: First-principles analysis A Srivastava, B Santhibhushan, V Sharma, K Kaur, M Shahzad Khan, ... Journal of Electronic Materials 45, 2233-2241, 2016 | 16 | 2016 |
| First principle analysis of (10-Boranylanthracene-9-yl) borane-based molecular single-electron transistor for high-speed low-power electronics B SanthiBhushan, MS Khan, A Srivastava, MS Khan IEEE Transactions on Electron Devices 63 (3), 1232-1238, 2016 | 16 | 2016 |
| Synthesis, characterization, DFT calculation, antifungal, antioxidant, CT-DNA/pBR322 DNA interaction and molecular docking studies of heterocyclic analogs R Mehandi, R Arif, M Rana, S Ahmedi, R Sultana, MS Khan, M Maseet, ... Journal of Molecular Structure 1245, 131248, 2021 | 14 | 2021 |
| Electronic and optical properties of functionalized zigzag ZnO nanotubes A Srivastava, P Gupta, MS Khan, MB Kanoun, S Goumri-Said Journal of Molecular Modeling 24, 1-10, 2018 | 14 | 2018 |
| Experimental and theoretical studies of a pyrazole-thiazolidin-2, 4-di-one hybrid M Mushtaque, F Avecilla, A Haque, A Perwez, MS Khan, MMA Rizvi Journal of Molecular Structure 1141, 417-427, 2017 | 14 | 2017 |
| Comparative theoretical study of iron and magnesium incorporated porphyrin induced carbon nanotubes and their interaction with hydrogen molecule MS Khan, MS Khan Physica E: Low-dimensional Systems and Nanostructures 44 (9), 1857-1861, 2012 | 12 | 2012 |
| High-performance single-electron transistor based on metal–organic complex of thiophene: First principle study A Sharma, MS Khan, A Srivastava, M Husain, MS Khan IEEE Transactions on Electron Devices 64 (11), 4628-4635, 2017 | 11 | 2017 |
