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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jan-2019/Migratory_Insertion TS-3-4(endo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.689591; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 1x(prima)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1329.7732566; Eh
thumbnail.jpeg24-Jan-2019/Migratory_Insertion TS-3-4x(exo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.692944; Eh
thumbnail.jpeg24-Jan-2019/Migratory_Insertion 4x(exo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7385754; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 9Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.6514517; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 1xx(prima)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1959.0444102; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction TS1-3Ox_Add_Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.6331232; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 11Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1781.1100789; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1781.1179749; Eh
thumbnail.jpeg24-Jan-2019/Migratory_Insertion TS-3-4x(endo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.6935927; Eh
Results 31-40 of 52 (Search time: 0.002 seconds).