Meenakshi Singh

RETRACTED: Quantum computational, spectroscopic (FT-IR, NMR and UV–Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2,6-dicarbonyl dichloride

Farah Manzer Manhas, Aysha Fatima, Indresh Verma et al. · Journal of Molecular Structure · 2022 · 61 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole

Aysha Fatima, Km. Pooja, Sandhya Savita et al. · Journal of Molecular Structure · 2021 · 52 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

Synthesis, crystal structure, characterization, Hirshfeld analysis, molecular docking and DFT calculations of 5-Phenylamino-isophthalic acid: A good NLO material

Aysha Fatima, Arif Ali, Sadiya Shabbir et al. · Journal of Molecular Structure · 2022 · 45 citations

Natural Sciences, Chemistry, Materials Science +14

Investigations on experimental, theoretical spectroscopic, electronic excitations, molecular docking of Sulfaguanidine (SG): An antibiotic drug

Aysha Fatima, Meenakshi Singh, Neha Singh et al. · Chemical Physics Letters · 2021 · 41 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Spectroscopic, molecular structure, electronic, Hirshfeld surface, molecular docking, and thermodynamic investigations of trans-4-hydroxy-L-proline by DFT method

Aysha Fatima, Meenakshi Singh, Neha Agarwal et al. · Journal of Molecular Liquids · 2021 · 36 citations

Natural Sciences, Biochemistry, Chemistry +15