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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jan-2019/Migratory_Insertion 3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1781.1179749; Eh
thumbnail.jpeg24-Jan-2019/Migratory_Insertion 4(endo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7364454; Eh
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/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/Oxidative_addition-Halide_abstraction 1Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1644.4308787; 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 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 9tFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2095.6564244; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction TS1-2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2095.6499501; Eh
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