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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019TS2_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7293936; Eh
thumbnail.jpeg2-May-2019TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Single point TSRB97D--2678.81640798; Eh
thumbnail.jpeg2-May-2019TS2Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.65709854; Eh
thumbnail.jpeg2-May-2019H2OBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--76.4089533236; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--1935.5465045; Eh
thumbnail.jpeg2-May-2019cat9_TS4antireABesora, MariaGaussian; 09; AM64L-G09RevA.02Geometry optimization TSRB97D--2601.48692006; Eh
thumbnail.jpeg2-May-2019cat8_TS4synsiBBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.38164648; Eh
thumbnail.jpeg2-May-2019cat4_TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2766.58375490; Eh
thumbnail.jpeg2-May-2019TS3noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.5831148; Eh
thumbnail.jpeg2-May-2019INT1_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7435794; Eh
Results 31-40 of 110 (Search time: 0.001 seconds).