0000-0003-4233-6779 About
i am a crystal researcher. At present i do a lot work on optimisation by softwares
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Publications (37)
- Hydrogen bonding interactions on molecular properties of pesticidal compound 4-nitrophthalic acid: experimental density functional theory computations, electron localized function, localized orbital locator analysis and molecular docking scrutiny Save
- Physico-chemical characterization and computational studies of a new organic adduct 3-amino-2-chloropyridine: Benzilic acid, crystal for third order harmonic generation Save
- Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium benzilate Save
- In depth analysis of anti corrosion behaviour of eco friendly gum exudate for mild steel in sulphuric acid medium Save
- Structural, spectral, physiochemical, computational studies and pharmacological screening of a new organic salt: 2, 6-diaminopyridinium-2-nitrobenzoate Save
- Crystal structure, spectral, thermal, optical, laser damage, NLO study and quantum chemical calculations of a noncentrosymmetric crystal N, N′-diphenylguanidinium p-toluenesulphonate Save
- Molecular properties, crystal structure, Hirshfeld surface analysis and computational calculations of a new third order NLO organic crystal, 2-aminopyridinium benzilate Save
- Biological action of molecular adduct pyrazole:trichloroacetic acid on Candida albicans and ctDNA - A combined experimental, Fukui functions calculation and molecular docking analysis Save
- Supramolecular interactions in itaconic acid-2-amino-4,6-dimethylpyrimidine molecular adduct: Physicochemical characterisation and quantum chemical calculations for the molecular adduct Save
- Quantum chemical calculations, structural, spectral and nonlinear optical investigations of a novel crystal N,N ′-diphenylguanidinium 3,5-dichlorobenzoate Save