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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB97D3en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1107.80702412en
cml.energy.unitsEhen
cml.formula.genericC17H26N4O3en
cml.calculationtypeGeometry optimization Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC(O)COC(O)NC1CCCCC1.C1CNC2NCCCN2C1en
dc.contributor.authorGonzález Fabra, Joan-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2015-07-31T08:33:38Z-
dc.date.available2015-07-31T08:33:38Z-
dc.date.created2015-07-31T10:33:37.23+02:00-
dc.date.issued2015-07-31T10:33:37.23+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/179-
dc.descriptionTransition state 2 frequency calculation. TBDH deprotonation and N-arylcarbamate formation.-
dc.relationOriginal title: A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions DOI: 10.1002/anie.201504956 Journal: Angew. Chem. Int. Ed.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-3-
dc.title/Aniline/Catalyzed/TBD/TS2_freq TS2-freq-
dc.date.updated2015-07-31T08:33:38Z-
Appears in Collections:A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions

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Manuscript title: A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201504956



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/232

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