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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019cat8_TS4synsiABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--1935.38431369; Eh
thumbnail.jpeg2-May-2019cat7_TS4synsiBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2370.59949309; Eh
thumbnail.jpeg2-May-2019TS1Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--3177.65767668; Eh
thumbnail.jpeg2-May-2019INT7Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--2680.40031510; Eh
thumbnail.jpeg2-May-2019cat5_TS4antireB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2715.9072865; Eh
thumbnail.jpeg2-May-2019cat5_TS4antireABesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB97D--2715.72448304; Eh
thumbnail.jpeg2-May-2019INT3noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0277387; Eh
thumbnail.jpeg2-May-2019TS4antireA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2679.0118944; Eh
thumbnail.jpeg2-May-2019INT10_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7634103; Eh
thumbnail.jpeg2-May-2019INT1noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2756.80628508; Eh
Results 21-30 of 110 (Search time: 0.001 seconds).