/N_hexane Hexane

Funes-Ardoiz, Ignacio

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	RB3LYP	en
cml.basisset	6-311+G**	en
cml.multiplicity	1	en
cml.spintype	Restricted	en
cml.shelltype	Closed	en
cml.charge	0	en
cml.energy.value	-237.171989133	en
cml.energy.units	Eh	en
cml.formula.generic	C6H14	en
cml.calculationtype	Single point Structure	en
cml.hassolvent	true	en
cml.hasvibrationalfrequencies	false	en
cml.numberofjobs	1	en
cml.hasmolecularorbitals	false	en
cml.formula.smiles	CCCCCC	en
dc.contributor.author	Funes-Ardoiz, Ignacio	-
dc.contributor.other	Institute of Chemical Research of Catalonia	en
dc.date.accessioned	2017-10-26T13:33:10Z	-
dc.date.accessioned	2019-05-04T13:03:03Z	-
dc.date.available	2017-10-26T13:33:10Z	-
dc.date.available	2019-05-04T13:03:03Z	-
dc.date.created	2017-10-26T15:33:09.471+02:00	-
dc.date.issued	2017-10-26T15:33:09.471+02:00	-
dc.identifier.uri	https://www.iochem-bd.org//handle/10/8473	-
dc.description	Hexane	-
dc.publisher	University of Strathclyde	-
dc.publisher	Institute of Chemical Research of Catalonia	-
dc.relation	Original title: Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMe<sub>n</sub>Ph<sub>(3-n)</sub>)<sub>4</sub>] DOI: 10.1002/chem.201702331 Journal: Chem. Eur. J.	*
dc.relation.ispartof	http://dx.doi.org/10.19061/iochem-bd-1-55	-
dc.relation.uri	http://dx.doi.org/10.1002/chem.201702331	-
dc.rights	CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017	-
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/	-
dc.title	/N_hexane Hexane	-
dc.type	dataset	-
dc.date.updated	2017-10-26T13:33:10Z	-
Appears in Collections:	Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMe_nPh_(3-n))₄]