Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
ts_7-SP-Me.inDownload
output.cmlDownload
Referenced by:

Manuscript title: Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and iso-Thiazoles

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/ange.201705664

Full metadata record
DC FieldValueLanguage
dc.contributor.authorMudarra, Ángel Luís-
dc.date.accessioned2017-07-19T11:19:06Z-
dc.date.available2017-07-19T11:19:06Z-
dc.date.created2017-07-19T13:19:05.181+02:00-
dc.date.issued2017-07-19T13:19:05.181+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/5262-
dc.descriptionTS7-SP-Me-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and iso-Thiazoles DOI: 10.1002/ange.201705664 Journal: Angew. Chem. Int. Ed.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-45-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Methyl_substituent_(R=Me)/Single_Point_Calculations TS7-SP-Me-
dc.typedataset-
dc.date.updated2017-07-19T11:19:06Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.basissetLANL2DZen
cml.basisset6-311++G(d,p)en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.energy.value-2234.25492151en
cml.energy.unitsEhen
cml.formula.genericC25H16BBr9CuN7O2Sen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and iso-Thiazoles



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/5262

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License