DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1, 4-diium bis (hydrogenoxalate) compound

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Molecular structure, spectroscopy, quantum chemical and antibacterial activity investigations of 2-methylbenzylammonium perchlorate

The title compound crystallized in the monoclinic space group P21/c at room temperature by slow evaporation with the following parameters a = 6.8894 (5) Å, b = 4.9146 (4) Å, c = 29.6565 (18) Å, β…

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تم النشر فى:

Sciencedirect

عمر مرزوق محمد الدوسري

DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1, 4-diium bis (hydrogenoxalate) compound