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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Single point TSRB97D--2678.81640798; Eh
thumbnail.jpeg2-May-2019cat10_TS4synsi_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1861.5204005; Eh
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
thumbnail.jpeg9-Aug-2020DFT-Small-system-FullFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-2323.49509920; Eh
thumbnail.jpeg9-Aug-2020DFT-Small-system-catalystFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-1708.16459222; Eh
thumbnail.jpeg9-Aug-2020DFT-Small-system-surfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-615.308266495; Eh
Results 331-340 of 340 (Search time: 0.001 seconds).