| 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 | 53 | 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 | 36 | 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 | 36 | 2021 |
| 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 | 34 | 2022 |
| 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 |
| 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 | 28 | 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 | 27 | 2021 |
| 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 |
| Investigations on experimental, theoretical spectroscopic, electronic excitations, molecular docking of Sulfaguanidine (SG): An antibiotic drug A Fatima, M Singh, N Singh, S Savita, I Verma, N Siddiqui, S Javed Chemical Physics Letters 783, 139049, 2021 | 23 | 2021 |
| Experimental spectroscopic and quantum computational analysis of pyridine-2, 6-dicarboxalic acid with molecular docking studies N Agarwal, I Verma, N Siddiqui, S Javed Journal of Molecular Structure 1245, 131046, 2021 | 21 | 2021 |
| Dimeric ZnII complex of carboxylate-appended (2-pyridyl) alkylamine ligand and exploration of experimental, theoretical, molecular docking and electronic excitation studies of … P Kaur, I Verma, G Khanum, N Siddiqui, S Javed, H Arora Journal of Molecular Structure 1276, 134715, 2023 | 19 | 2023 |
| Experimental spectroscopic, Quantum computational, Hirshfeld surface and molecular docking studies on 3-Pyridinepropionic acid S Savita, A Fatima, K Garima, K Pooja, I Verma, N Siddiqui, S Javed Journal of Molecular Structure 1243, 130932, 2021 | 17 | 2021 |
| Copper (II) monomer bearing phenolate-based ligand: theoretical and experimental visions A Jindal, P Agarwal, I Verma, G Khanum, K Althubeiti, N Siddiqui, S Javed, ... Polycyclic Aromatic Compounds 43 (4), 3489-3501, 2023 | 14 | 2023 |
| Structural and magnetic characterization of mixed-valence vanadium (IV/V) complex with {(VO) 2 (µ‒O)} 3+ core: Theoretical and experimental insights A Kumar, I Verma, M Gautam, RD Erande, J Kłak, D Choquesillo-Lazarte, ... Journal of Molecular Structure 1269, 133805, 2022 | 14 | 2022 |
| The reversible inter-conversion of copper (ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints P Agarwal, A Kumar, I Verma, RD Erande, J Kłak, AJ Mota, H Arora, ... New Journal of Chemistry 45 (3), 1203-1215, 2021 | 10 | 2021 |
| Synthesis, Characterization and Antibacterial Investigation of Mononuclear Copper (II) Complexes of Amine-phenolate Based Ligands A Jindal, S Kapoor, I Verma, A Raju, H Arora, P Tyagi Polycyclic Aromatic Compounds 44 (1), 162-177, 2024 | 8 | 2024 |
| Experimental, theoretical, hirschfeld surface, electronic excitation and molecular docking studies on fomepizole (4-Methyl-1H-pyrazole) K Pooja, A Fatima, A Sharma, K Garima, S Savita, M Kumar, I Verma, ... Journal of Molecular Structure 1256, 132549, 2022 | 8 | 2022 |
| Ring-Opening Cyclization (ROC) of Aziridines with Propargyl Alcohols: Synthesis of 3,4-Dihydro-2H-1,4-oxazines B Singh, M Kumar, G Goswami, I Verma, MK Ghorai The Journal of Organic Chemistry 88 (7), 4504-4518, 2023 | 7 | 2023 |
| Experimental spectroscopic, quantum computational, hirshfeld surface, molecular docking, and electronic excitation studies on an antibiotic agent: SDZ M Kumar, A Fatima, M Singh, I Verma, G Khanum, S Muthu, K Althubeiti, ... Polycyclic Aromatic Compounds 43 (4), 3122-3146, 2023 | 6 | 2023 |
