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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat9_TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6639433; Eh
thumbnail.jpeg2-May-2019cat5_TS4synsiBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2715.71374401; Eh
thumbnail.jpeg2-May-2019cat4_TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2766.59152775; Eh
thumbnail.jpeg2-May-2019cat10_TS4synsiBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1861.37034077; Eh
thumbnail.jpeg2-May-2019cat4_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2766.7696582; Eh
thumbnail.jpeg2-May-2019cat10_TS4antire_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1861.5212104; Eh
thumbnail.jpeg2-May-2019cat5_TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2715.71556638; Eh
thumbnail.jpeg2-May-2019TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2679.0083938; Eh
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