Saleem Javed

Conformational stability, quantum computational (DFT), vibrational, electronic and non-covalent interactions (QTAIM, RDG and IGM) of antibacterial compound N-(1-naphthyl)ethylenediamine dihydrochloride

V.S. Jeba Reeda, S. Sakthivel, P. Divya et al. · Journal of Molecular Structure · 2023 · 76 citations

Engineering, Natural Sciences, Conformational Stability +9

Synthesis, crystallographic and spectrophotometric studies of charge transfer complex formed between 2,2′-bipyridine and 3,5-dinitrosalicylic acid

Neelam Singh, Ishaat M. Khan, Afaq Ahmad et al. · Journal of Molecular Liquids · 2013 · 69 citations

Organic Charge-transfer Compound, Chemical Engineering, Engineering +6

Quantum computational, spectroscopic investigations on ampyra (4-aminopyridine) by dft/td-dft with different solvents and molecular docking studies

Nazia Siddiqui, Saleem Javed · Journal of Molecular Structure · 2020 · 66 citations

Molecular Docking Studies, Molecular Spectroscopy, Engineering +11

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 molecular docking studies

Aysha Fatima, Juli Bhadoria, Sanjay K. Srivastava et al. · Journal of Molecular Liquids · 2021 · 62 citations

Molecular Docking Studies, Engineering, Organic Chemistry +7

DFT, Molecular Docking, Molecular Dynamics Simulation, MMGBSA Calculation and Hirshfeld Surface Analysis of 5-Sulfosalicylic Acid

Aysha Fatima, Himanshu Arora, Prabuddha Bhattacharya et al. · Journal of Molecular Structure · 2022 · 61 citations

Engineering, Chemical Analysis, Biochemistry +9