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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat10_TS4synsi_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1861.5204005; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.38431369; Eh
thumbnail.jpeg2-May-2019cat7_TS4synsiBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2370.59949309; Eh
thumbnail.jpeg2-May-2019cat5_TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2715.9072865; Eh
thumbnail.jpeg2-May-2019cat5_TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2715.72448304; Eh
thumbnail.jpeg2-May-2019TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2679.0118944; Eh
thumbnail.jpeg2-May-2019TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Single point TSRB97D--2678.81640798; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5465045; Eh
thumbnail.jpeg2-May-2019cat9_TS4antireABesora, MariaGaussian; 09; AM64L-G09RevA.02Geometry optimization TSRB97D--2601.48692006; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.38164648; Eh
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