gas_sp2_ts_pdph32_c_trans

Code snippets

Actions:

View data Download geometry

Files in This Item:

File	Description	Size	Format	Retrieve
gas_sp2_ts_pdph32_c_trans.in		1.37 kB	Gaussian Input format	Download
output.cml		52.04 kB	Chemical Markup Language	Download

Referenced by:

Manuscript title: The Diverse Mechanisms for the Oxidative Addition of C-Br bonds to Pd(PR3) and Pd(PR3)2 Complexes

Journal: J. Chem. Soc., Dalton Trans.

Full metadata record

DC Field	Value	Language
dc.contributor.author	Besora, Maria	-
dc.date.accessioned	2019-10-03T10:23:04Z	-
dc.date.available	2019-10-03T10:23:04Z	-
dc.date.created	2019-10-03T12:23:03.231+02:00	-
dc.date.issued	2019-10-03T12:23:03.231+02:00	-
dc.identifier.uri	https://iochem-bd.iciq.es/browse/handle/100/21291	-
dc.description	gas_sp2_ts_pdph32_c_trans	-
dc.publisher	Institute of Chemical Research of Catalonia	-
dc.relation	Original title: The Diverse Mechanisms for the Oxidative Addition of C-Br bonds to Pd(PR3) and Pd(PR3)2 Complexes DOI: 10.1039/C9DT03155C Journal: J. Chem. Soc., Dalton Trans.	-
dc.relation.ispartof	http://dx.doi.org/10.19061/iochem-bd-1-138	-
dc.relation.uri	http://dx.doi.org/10.1039/C9DT03155C	-
dc.rights	CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019	-
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/	-
dc.title	gas_sp2_ts_pdph32_c_trans	-
dc.type	dataset	-
dc.date.updated	2019-10-03T10:23:04Z	-
cml.program.name	Gaussian	en
cml.program.version	09	en
cml.program.other	EM64L-G09RevA.02	en
cml.method	RB3LYP	en
cml.basisset	GEN	en
cml.spintype	Restricted	en
cml.calculationtype	Single point Structure	en
cml.hassolvent	false	en
cml.hasvibrationalfrequencies	false	en
cml.numberofjobs	2	en
cml.hasmolecularorbitals	false	en
Appears in Collections:	OxidativeAddition - DOI: 10.19061/iochem-bd-1-138

Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/21291

Item files in Browse
HTML5 resume (see conditions inside)

ioChem-BD Browse module - Item page