Browsing by Subject Regioselectivity

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020TS2fDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM066-31G** 6-31G* LANL2DZ GEN-1469.63448955; Eh