| Impact of annealing on the structural and optical properties of ZnO nanoparticles and tracing the formation of clusters via DFT calculation RN Aljawfi, MJ Alam, F Rahman, S Ahmad, A Shahee, S Kumar Arabian Journal of Chemistry 13 (1), 2207-2218, 2020 | 65 | 2020 |
| Anharmonic vibrational studies of L-aspartic acid using HF and DFT calculations MJ Alam, S Ahmad Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 992-1004, 2012 | 65 | 2012 |
| FTIR, FT-Raman, UV–Visible spectra and quantum chemical calculations of allantoin molecule and its hydrogen bonded dimers MJ Alam, S Ahmad Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 961-978, 2015 | 55 | 2015 |
| DFT/B3LYP calculations, in vitro cytotoxicity and antioxidant activities of steroidal pyrimidines and their interaction with HSA using molecular docking and multispectroscopic … A Ali, M Asif, P Alam, M Jane Alam, M Asif Sherwani, R Hasan Khan, ... Bioorganic Chemistry, 2017 | 53 | 2017 |
| Spectroscopic (FTIR, FT-Raman, 1H NMR and UV–Vis) and DFT/TD-DFT studies on cholesteno [4, 6-b, c]-2′, 5′-dihydro-1′, 5′-benzothiazepine MJ Alam, AU Khan, M Alam, S Ahmad Journal of Molecular Structure 1178, 570-582, 2019 | 52 | 2019 |
| The Novel Iminium surfactant p-benzylidene benzyldodecyl iminium chloride as corrosion inhibitor for plain carbon steel in 1M HCl: Electrochemical and DFT evaluation S Masroor, M Mobin, M Jane Alam, S Ahmad RSC Advances 7, 23182, 2017 | 52 | 2017 |
| Exploring charge transfer dynamics and photocatalytic behavior of designed donor-acceptor complex: characterization, spectrophotometric and theoretical studies (DFT/TD-DFT) IM Khan, K Alam, MJ Alam Journal of Molecular Liquids 310, 113213, 2020 | 49 | 2020 |
| Molecular structure, anharmonic vibrational analysis and electronic spectra of o-, m-, p-iodonitrobenzene using DFT calculations MJ Alam, S Ahmad Journal of Molecular Structure 1059, 239-254, 2014 | 47 | 2014 |
| Spectrophotometric and photocatalytic studies of H-bonded charge transfer complex of oxalic acid with imidazole: single crystal XRD, experimental and DFT/TD-DFT studies IM Khan, K Alam, MJ Alam, M Ahmad New Journal of Chemistry 43 (23), 9039-9051, 2019 | 46 | 2019 |
| Quantum chemical and spectroscopic investigations of 3-methyladenine MJ Alam, S Ahmad Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 128, 653-664, 2014 | 45 | 2014 |
| Synthesis, spectroscopic, computational (DFT/B3LYP), AChE inhibition and antioxidant studies of imidazole derivative F Ahmad, MJ Alam, M Alam, S Azaz, M Parveen, S Park, S Ahmad Journal of Molecular Structure 1151, 327-342, 2018 | 44 | 2018 |
| Synthesis, structural, hirshfeld surface, spectroscopic studies and quantum chemical calculation of the proton transfer complex between 2-amino-4-hydroxy-6-methylpyrimidine and … Z Afroz, M Faizan, MJ Alam, VHN Rodrigues, S Ahmad, A Ahmad Journal of Molecular Structure 1171, 438-448, 2018 | 37 | 2018 |
| Potential Third-Order Nonlinear Optical Response Facilitated by Intramolecular Charge Transfer in a Simple Schiff Base Molecule: Experimental and Theoretical Exploration S Kamaal, M Mehkoom, A Ali, SM Afzal, MJ Alam, S Ahmad, M Ahmad ACS omega 6 (9), 6185-6194, 2021 | 30 | 2021 |
| Computational and anti-tumor studies of 7a-Aza-B-homostigmast-5-eno [7a, 7-d] tetrazole-3β-yl chloride M Alam, MJ Alam, SAA Nami, DU Lee, M Azam, S Ahmad Journal of Molecular Structure 1108, 411-426, 2016 | 28 | 2016 |
| Structural elucidation, density functional calculations and contribution of intermolecular interactions in cholest-4-en-3-one crystals: Insights from X-ray and Hirshfeld … H Khanam, A Mashrai, N Siddiqui, M Ahmad, MJ Alam, S Ahmad Journal of Molecular Structure 1084, 274-283, 2015 | 26 | 2015 |
| Structural, vibrational and electronic absorption characteristics of the monohydrate organic salt of 2-amino-5-bromo-6-methyl-4-pyrimidinol and 2, 3-pyrazinedicarboxylic acid … M Faizan, Z Afroz, MJ Alam, VH Rodrigues, S Ahmad, A Ahmad Journal of Molecular Structure 1177, 229-241, 2019 | 25 | 2019 |
| DFT/TD-DFT calculations, spectroscopic characterizations (FTIR, NMR, UV–vis), molecular docking and enzyme inhibition study of 7-benzoyloxycoumarin M Alam, MJ Alam, S Azaz, M Parveen, S Park, S Ahmad Computational biology and chemistry 73, 65-78, 2018 | 23 | 2018 |
| Experimental and theoretical characterization of organic salt: 2-((4-bromophenyl) amino) pyrido [1, 2-a] quinoxalin-11-ium bromide monohydrate synthesized via oxidative cyclization MSH Faizi, MJ Alam, A Haque, S Ahmad, M Shahid, M Ahmad Journal of Molecular Structure 1156, 457-464, 2018 | 22 | 2018 |
| DFT, Hirshfeld surfaces, spectral and in vivo cytotoxic studies of 7a-Aza-B-homostigmast-5-eno [7a, 7-d] tetrazole M Alam, MJ Alam, SAA Nami, MS Khan, S Ahmad, DU Lee Journal of Molecular Structure 1099, 588-600, 2015 | 22 | 2015 |
| Biosynthesis of silver nanoparticles and its application against phytopathogenic bacterium and fungus M Khan, AU Khan, MJ Alam, S Park, M Alam International Journal of Environmental Analytical Chemistry 100 (12), 1390-1401, 2020 | 21 | 2020 |
DR. SHABBIR AHMADPROFESSOR, DEPARTMENT OF PHYSICS, AMU ALIGARHVerified email at amu.ac.in
