Quantum chemical study the on interaction between sulfanilamide drug and MgO nanocluster
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DOI: 10.1007/s00894-021-04898-8
Abstract: The adsorption and interaction of sulfanilamide (SA) with a pristine magnesium oxide (MgO) nano-cage was scrutinized through density functional theory (DFT) calculations. All geometries were optimized at M06-2X/6-311G(d,p) level, and the single-point energy calculation was… read more here.
Keywords: interaction sulfanilamide; nano cage; mgo nano;