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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat8_TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.552666; Eh
thumbnail.jpeg2-May-2019cat10_TS4antire_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1861.5212104; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.38431369; Eh
thumbnail.jpeg2-May-2019cat8_TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.39076685; Eh
thumbnail.jpeg2-May-2019cat10_TS4antireBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1861.37078594; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5476735; 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
thumbnail.jpeg9-Aug-2020DFT-Small-system-FullFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-2323.49509920; Eh
thumbnail.jpeg11-Mar-2021TOL_metallocarbene7_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+G* 6-31G LANL2DZ GEN-2196.31894013; Eh
Results 331-340 of 340 (Search time: 0.002 seconds).