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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-May-2016Cl-Jover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization StructureRPBEPBE--460.167517893; Eh
thumbnail.jpeg9-May-2016TS_IJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-31+G*; SDD-1430.64820361; Eh
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