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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-May-2016Pd2OAc4Jover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G*; SDD-1168.90110807; Eh
thumbnail.jpeg9-May-2016TS_IIJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRPBEPBE6-31+G*; SDD-970.469264016; Eh
thumbnail.jpeg9-May-2016H2OJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE--76.3517018433; Eh
thumbnail.jpeg9-May-2016TS_IJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-31+G*; SDD-1430.64820361; Eh
thumbnail.jpeg9-May-2016TS_VIJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRPBEPBE6-31+G*; SDD-895.386220544; Eh
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