0000-0002-9082-3670 Employment
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Publications (147)
- Adenine Adsorption on GeO2 Nanoclusters: DFT, MD and Solvent Effects Analyses Save
- Adsorption, Sensor Properties, AIM Analysis, Docking of an Anticancer Drug Benzamide on Nanocones: SERS, Solvent Effects and DFT Investigation Save
- Experimental and DFT investigations of SERS Profile of a Bioactive Hydroxybenzamide Derivative Save
- Experimental spectra, electronic properties (liquid and gaseous phases) and activity against SARS-CoV-2 main protease of Fluphenazine dihydrochloride: DFT and MD simulations Save
- Co-crystals of ethenzamide with 2-nitrobenzoic acid - Conformational analysis, MD simulations and DFT investigations Save
- Theoretical investigation on the adsorption of melamine in Al12/B12-N12/P12 fullerene-like nanocages: a platform for ultrasensitive detection of melamine Save
- Concentration-dependent SERS profile of olanzapine on silver and silver-gold metallic substrates Save
- Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2 Save
- Genomic variation and point mutations analysis of Indian COVID-19 patient samples submitted in GISAID database Save
- Theoretical Investigation of the Modeling of Indole –dichlormethane Hydrogen Bonding in Different Solvents Save