Km. Pooja

Quantum computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on sulfanilic acid: An anti-bacterial drug

Aysha Fatima, Ghazala Khanum, Sandhya Savita et al. · Journal of Molecular Liquids · 2021 · 51 citations

Medicinal Chemistry, Biochemistry, Natural Sciences +7

Experimental spectroscopic, Quantum computational, Hirshfeld surface and molecular docking studies on 3-Pyridinepropionic acid

Sandhya Savita, Aysha Fatima, Km Garima et al. · Journal of Molecular Structure · 2021 · 40 citations

Molecular Docking Studies, Molecular Spectroscopy, 3-Pyridinepropionic Acid +9

Experimental, theoretical, hirschfeld surface, electronic excitation and molecular docking studies on fomepizole(4-Methyl-1H-pyrazole)

Km. Pooja, Aysha Fatima, Arun Sharma et al. · Journal of Molecular Structure · 2022 · 28 citations

Organic Charge-transfer Compound, Molecular Docking Studies, Hirschfeld Surface +4

Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies

Km Garima, Aysha Fatima, Km. Pooja et al. · Polycyclic aromatic compounds · 2022 · 25 citations

Engineering, Molecule-based Material, Natural Bond Orbital +19