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“Can Li atoms anchored on boron- and nitrogen-doped graphene catalyze dinitrogen molecules to ammonia? a DFT study”, ChemPhysChem, vol. 24, no. 12, 2023.
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“Estimation of reaction kinetics for aromatic and heterocycles nitration in mixed acids through computational chemistry approach”, International Journal of Chemical Kinetics, vol. 53, no. 3, pp. 319-332, 2021.
, “Synthesis of novel of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study”, Bioorganic & Medicinal Chemistry Letters, vol. 30, no. 12, p. 127136, 2020.
, “Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis”, Journal of Chemical Sciences, vol. 129, no. 5, pp. 515-531, 2017.
, “Computational survey of ligand properties on iron(III)-iron(II) redox potential: exploring natural attenuation of nitroaromatic compounds”, Monatshefte Fur Chemie, vol. 148, no. 4, pp. 655-668, 2017.
, “Converting ab initio energies to enthalpies of formation of free radicals. I. new atom equivalents for alkyl radicals”, Aiche Journal, vol. 58, no. 2, pp. 600-609, 2012.
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