Stereoselective and Versatile Preparation of Tri- and Tetra- Substituted Allylic Amine Scaffolds under Mild Conditions

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-10

This dataset derived results are published in:

Manuscript title: Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.6b07382

PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegt2-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.78191760; Eh
thumbnail.jpeg32-E-Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB97D6-31G(d)-980.222157615; Eh
thumbnail.jpegt1-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2273.73960323; Eh
thumbnail.jpeg32-Z-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-980.221511330; Eh
thumbnail.jpegco2-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D--188.471959914; Eh
thumbnail.jpeg33-E-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-1019.51168444; Eh
thumbnail.jpegvinylcarboante-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D--728.984535755; Eh
thumbnail.jpegt28-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.67362501; Eh
thumbnail.jpeg33-Z-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-1019.51099845; Eh
thumbnail.jpegt27-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.70110988; Eh
thumbnail.jpegt22-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.26301667; Eh
thumbnail.jpegt21-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.25124320; Eh
thumbnail.jpegt20-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.25361411; Eh
thumbnail.jpegt3-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.78160778; Eh
thumbnail.jpegt2-3-Gaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.76590105; Eh
thumbnail.jpegt4-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.78227393; Eh
thumbnail.jpegt5-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.28124846; Eh
thumbnail.jpegt8ยด-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.70547772; Eh
thumbnail.jpegt25-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.68004633; Eh
thumbnail.jpegt8-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.72205098; Eh
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