t1

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File	Description	Size	Format	Retrieve
t1.in		4.09 kB	Gaussian Input format	Download
output.cml		953.78 kB	Chemical Markup Language	Download

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

Journal: J. Am. Chem. Soc.

Full metadata record

DC Field	Value	Language
dc.contributor.author	Kuniyil, Rositha	-
dc.date.accessioned	2016-08-31T09:03:39Z	-
dc.date.available	2016-08-31T09:03:39Z	-
dc.date.created	2016-08-31T11:03:37.725+02:00	-
dc.date.issued	2016-08-31T11:03:37.725+02:00	-
dc.identifier.uri	https://iochem-bd.iciq.es/browse/handle/100/837	-
dc.description	catalyst-reactant-adduct	-
dc.relation	Original title: Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions DOI: 10.1021/jacs.6b07382 Journal: J. Am. Chem. Soc.	*
dc.relation.ispartof	http://dx.doi.org/10.19061/iochem-bd-1-10	-
dc.rights	http://creativecommons.org/licenses/by/4.0/	-
dc.title	t1	-
dc.date.updated	2016-08-31T09:03:39Z	-
cml.program.name	Gaussian	en
cml.program.version	09	en
cml.program.other	EM64L-G09RevD.01	en
cml.method	RB97D	en
cml.basisset	6-31g(d)	en
cml.basisset	SDD	en
cml.multiplicity	1	en
cml.spintype	Restricted	en
cml.shelltype	Closed	en
cml.charge	0	en
cml.energy.value	-2273.73960323	en
cml.energy.units	Eh	en
cml.formula.generic	C36H28OP2Pd	en
cml.calculationtype	Geometry optimization Minimum	en
cml.hassolvent	true	en
cml.hasvibrationalfrequencies	true	en
cml.numberofjobs	2	en
cml.hasmolecularorbitals	false	en
Appears in Collections:	Stereoselective and Versatile Preparation of Tri- and Tetra- Substituted Allylic Amine Scaffolds under Mild Conditions - DOI: 10.19061/iochem-bd-1-10

Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/837

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