1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat9_TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6665981; Eh
thumbnail.jpeg2-May-2019cat9_TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6639433; Eh
thumbnail.jpeg2-May-2019cat9_TS4antireABesora, MariaGaussian; 09; AM64L-G09RevA.02Geometry optimization TSRB97D--2601.48692006; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6601937; Eh
thumbnail.jpeg2-May-2019cat4_TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2766.7750918; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6595691; Eh
thumbnail.jpeg2-May-2019cat9_TS4antireBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2601.48746361; Eh
thumbnail.jpeg2-May-2019cat4_TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2766.59152775; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2601.48132812; Eh
thumbnail.jpeg2-May-2019cat4_TS4antireBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2766.58923183; Eh
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