Pd2OAc4

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File	Description	Size	Format	Retrieve
Pd2OAc4.in		1.91 kB	Gaussian Input format	Download
output.cml		605.3 kB	Chemical Markup Language	Download

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Manuscript title: The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols

Journal: ACS Catal.

Full metadata record

DC Field	Value	Language
dc.contributor.author	Jover Modrego, Jesús	-
dc.date.accessioned	2016-05-09T14:37:24Z	-
dc.date.available	2016-05-09T14:37:24Z	-
dc.date.created	2016-05-09T16:37:23.142+02:00	-
dc.date.issued	2016-05-09T16:37:23.142+02:00	-
dc.identifier.uri	https://iochem-bd.iciq.es/browse/handle/100/584	-
dc.description	[Pd2(OAc)4]	-
dc.relation	Original title: The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols DOI: 10.1021/acscatal.6b00832 Journal: ACS Catal.	*
dc.relation.ispartof	http://dx.doi.org/10.19061/iochem-bd-1-6	-
dc.rights	http://creativecommons.org/licenses/by/4.0/	-
dc.title	Pd2OAc4	-
dc.date.updated	2016-05-09T14:37:24Z	-
cml.program.name	Gaussian	en
cml.program.version	09	en
cml.program.other	EM64L-G09RevD.01	en
cml.method	RPBEPBE	en
cml.basisset	6-31+G*	en
cml.basisset	SDD	en
cml.multiplicity	1	en
cml.spintype	Restricted	en
cml.shelltype	Closed	en
cml.charge	0	en
cml.energy.value	-1168.90110807	en
cml.energy.units	Eh	en
cml.formula.generic	C8H12O8Pd2	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:	The interplay between homogeneous and heterogeneous phases of PdAu catalysts for the oxidation of alcohols - DOI: 10.19061/iochem-bd-1-6

Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/584

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