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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2679.0083938; Eh
thumbnail.jpeg2-May-2019cat7_TS4synsiBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2370.59949309; Eh
thumbnail.jpeg2-May-2019TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2678.82754646; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5476735; Eh
thumbnail.jpeg11-Mar-2021TOL_metallocarbene7_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+G* 6-31G LANL2DZ GEN-2196.31894013; Eh
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