Ni-Photocatalyst_Indoline_Synthesis Collection home page

Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.

Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-108

No other publication derived

Browse
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 51
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/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 9ossFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2095.6567302; 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
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 2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1655.9144966; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 10Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1341.3020064; 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/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/Migratory_Insertion TS-3-4x(endo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.6935927; Eh
thumbnail.jpeg24-Jan-2019/Migratory_Insertion 4x(endo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7316703; Eh
thumbnail.jpeg24-Jan-2019/Migratory_Insertion TS-3-4(exo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7026806; Eh
thumbnail.jpeg24-Jan-2019/Migratory_Insertion 4(exo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7334151; 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/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 4(endo)Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7364454; Eh
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 51
RSS Feed RSS Feed RSS Feed