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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.basissetLANL2DZen
cml.basisset6-311++G(d,p)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-2234.36054235en
cml.energy.unitsEhen
cml.formula.genericC25H16BBr9CuN7O2Sen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1CCC(CC1)[S-3](O)N(C(C)C(O)C1CCCCC1)[Cu]1N2C(Br)C(Br)C(Br)N2[BH4-4](N2NC(Br)C(Br)C2Br)N2C(Br)C(Br)C(Br)N21en
dc.contributor.authorMudarra, Ángel Luís-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-07-19T11:18:34Z-
dc.date.accessioned2019-05-04T12:25:40Z-
dc.date.available2017-07-19T11:18:34Z-
dc.date.available2019-05-04T12:25:40Z-
dc.date.created2017-07-19T13:18:33.539+02:00-
dc.date.issued2017-07-19T13:18:33.539+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/7465-
dc.descriptionI12-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 I12-SP-Me-
dc.typedataset-
dc.date.updated2017-07-19T11:18:34Z-
Appears in Collections:Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and iso-Thiazoles

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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



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/7465

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