| Synthesis, crystallographic and spectrophotometric studies of charge transfer complex formed between 2, 2′-bipyridine and 3, 5-dinitrosalicylic acid N Singh, IM Khan, A Ahmad, S Javed Journal of Molecular Liquids 191, 142-150, 2014 | 71 | 2014 |
| Exploration of experimental and theoretical properties of 5, 5-dimethyl 3-amino-cyclohex-2-en-1-one (AMINE DIMEDONE) by DFT/TD-DFT with ethanol and DMSO as solvents and … A Fatima, J Bhadoria, SK Srivastava, I Verma, N Siddiqui, S Javed Journal of Molecular Liquids 338, 116551, 2021 | 56 | 2021 |
| Preparation, spectral investigation and spectrophotometric studies of proton transfer complex of 2, 2′-bipyridine with 3, 5-dinitrobenzoic acid in various polar solvents N Singh, IM Khan, A Ahmad, S Javed Journal of Molecular Structure 1065, 74-85, 2014 | 47 | 2014 |
| Synthesis, spectrophotometric and thermodynamic studies of charge transfer complex of 5, 6-dimethylbenzimidazole with chloranilic acid at various temperatures in acetonitrile … N Singh, IM Khan, A Ahmad, S Javed Journal of Molecular Liquids 221, 1111-1120, 2016 | 45 | 2016 |
| Quantum computational, spectroscopic investigations on ampyra (4-aminopyridine) by dft/td-dft with different solvents and molecular docking studies N Siddiqui, S Javed Journal of Molecular Structure 1224, 129021, 2021 | 41 | 2021 |
| Quantum computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on sulfanilic acid: An anti-bacterial drug A Fatima, G Khanum, S Savita, K Pooja, I Verma, N Siddiqui, S Javed Journal of Molecular Liquids 346, 117150, 2022 | 38 | 2022 |
| Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2, 6-dicarbonyl dichloride FM Manhas, A Fatima, I Verma, N Siddiqui, S Muthu, HS AlSalem, ... Journal of Molecular Structure 1265, 133374, 2022 | 37 | 2022 |
| Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole A Fatima, K Pooja, S Savita, M Singh, I Verma, N Siddiqui, S Javed Journal of Molecular Structure 1245, 131118, 2021 | 37 | 2021 |
| Synthesis and dynamics of a novel proton transfer complex containing 3, 5-dimethylpyrazole as a donor and 2, 4-dinitro-1-naphthol as an acceptor: crystallographic, UV-visible … N Singh, IM Khan, A Ahmad, S Javed New Journal of Chemistry 41 (14), 6810-6821, 2017 | 36 | 2017 |
| Synthesis, spectroscopic, crystal structure, DFT, hirshfeld surface and molecular docking analysis of hexahydroquinoline derivative (HQ) A Fatima, G Khanum, DD Agrawal, SK Srivastava, RJ Butcher, S Muthu, ... Polycyclic Aromatic Compounds 43 (5), 4242-4270, 2023 | 34 | 2023 |
| DFT, molecular docking, molecular dynamics simulation, MMGBSA calculation and hirshfeld surface analysis of 5-sulfosalicylic acid A Fatima, H Arora, P Bhattacharya, N Siddiqui, KM Abualnaja, P Garg, ... Journal of Molecular Structure 1273, 134242, 2023 | 32 | 2023 |
| Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde A Fatima, G Khanum, A Sharma, I Verma, H Arora, N Siddiqui, S Javed Polycyclic Aromatic Compounds 43 (2), 1263-1287, 2023 | 32 | 2023 |
| Synthesis, single crystal, characterization and computational study of 2-amino-N-cyclopropyl-5-ethyl-thiophene-3-carboxamide G Khanum, A Fatima, N Siddiqui, DD Agarwal, RJ Butcher, SK Srivastava, ... Journal of Molecular Structure 1250, 131890, 2022 | 31 | 2022 |
| Crystal structure, topology, DFT and Hirshfeld surface analysis of a novel charge transfer complex (L3) of anthraquinone and 4-{[(anthracen-9-yl) meth-yl] amino}-benzoic acid … A Ahmed, A Fatima, S Shakya, QI Rahman, M Ahmad, S Javed, ... Molecules 27 (5), 1724, 2022 | 30 | 2022 |
| Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride A Fatima, G Khanum, A Sharma, K Garima, S Savita, I Verma, N Siddiqui, ... Journal of Molecular Structure 1249, 131571, 2022 | 29 | 2022 |
| Spectroscopic, molecular structure, electronic, Hirshfeld surface, molecular docking, and thermodynamic investigations of trans-4-hydroxy-L-proline by DFT method A Fatima, M Singh, N Agarwal, I Verma, RJ Butcher, N Siddiqui, S Javed Journal of Molecular Liquids 343, 117549, 2021 | 29 | 2021 |
| Synthesis, crystal structure, characterization, Hirshfeld analysis, molecular docking and DFT calculations of 5-Phenylamino-isophthalic acid: A good NLO material A Fatima, A Ali, S Shabbir, M Khan, M Mehkoom, SM Afzal, M Ahmad, ... Journal of Molecular Structure 1261, 132791, 2022 | 27 | 2022 |
| Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4, 6-dichloro-2-(propylthio) pyrimidine-anticancer agent M Sumithra, N Sundaraganesan, R Rajesh, V Vetrivelan, V Ilangovan, ... Chemical Physics Impact 6, 100145, 2023 | 26 | 2023 |
| Synthesis, Characterization, Crystal Structure, Hirshfeld Surface, Electronic Excitation, Molecular Docking, and DFT Studies on 2-Amino Thiophene Derivative A Fatima, G Khanum, I Verma, RJ Butcher, N Siddiqui, SK Srivastava, ... Polycyclic Aromatic Compounds 43 (2), 1644-1675, 2023 | 26 | 2023 |
| Synthesis, computational, spectroscopic, hirshfeld surface, electronic state and molecular docking studies on diethyl-5-amino-3-methylthiophene-2, 4-dicarboxylate A Fatima, G Khanum, SK Srivastava, I Verma, N Siddiqui, S Javed Chemical Physics Letters 784, 139103, 2021 | 26 | 2021 |
Dr. Nazia SiddiquiAssistant Professor, Chemistry Department, Dayalbagh Educational Institute, Agra
