t9´_nap

Full metadata record

DC Field	Value	Language
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	-3504.75103608	en
cml.energy.units	Eh	en
cml.formula.generic	C64H52O3P2Pd	en
cml.calculationtype	Geometry optimization Minimum	en
cml.hassolvent	true	en
cml.hasvibrationalfrequencies	true	en
cml.numberofjobs	2	en
cml.hasmolecularorbitals	false	en
cml.formula.smiles	OCC(C1CCC2CCCCC2C1)C1C[Pd]12[P-4](C1CCCCC1)(C1CCCCC1)C1CCCCC1OC1CCCCC1[P-4]2(C1CCCCC1)C1CCCCC1	en
dc.contributor.author	Kuniyil, Rositha	-
dc.contributor.other	Institute of Chemical Research of Catalonia	en
dc.date.accessioned	2018-01-29T09:56:22Z	-
dc.date.accessioned	2019-05-04T12:23:48Z	-
dc.date.available	2018-05-08T15:26:08Z	-
dc.date.available	2019-05-04T12:23:48Z	-
dc.date.created	2018-01-29T10:56:21.124+01:00	-
dc.date.issued	2018-01-29T10:56:21.124+01:00	-
dc.identifier.uri	https://www.iochem-bd.org//handle/10/7407	-
dc.description	intermediate	-
dc.publisher	Institute of Chemical Research of Catalonia	-
dc.relation.ispartof	http://dx.doi.org/10.19061/iochem-bd-1-62	-
dc.rights	CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018	-
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/	-
dc.title	t9´_nap	-
dc.type	dataset	-
dc.date.updated	2018-01-29T09:56:22Z	-
Appears in Collections:	A Domino Process towards Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative Csp3-Csp3 Bond Formation