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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat5_TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2715.9075508; Eh
thumbnail.jpeg2-May-2019cat8_TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.552666; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2601.47857926; Eh
thumbnail.jpeg2-May-2019TS4synsiB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2679.0013917; Eh
thumbnail.jpeg2-May-2019cat5_TS4antireBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2715.72354807; Eh
thumbnail.jpeg2-May-2019cat9_TS4antireBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2601.48746361; Eh
thumbnail.jpeg2-May-2019cat10_TS4antireBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1861.37078594; Eh
thumbnail.jpeg2-May-2019TS4synsiBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2678.81326931; Eh
thumbnail.jpeg2-May-2019TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2678.82754646; Eh
thumbnail.jpeg2-May-2019cat9_TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6665981; Eh
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