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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--1107.80267324; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/Int3 Int3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--1107.80716653; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/Final_Product Final-ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--669.107612504; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/TBD/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPM6--0.280438686170; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/TS2_freq TS2-freqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--1107.80702412; Eh
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