ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
cat_7H2O.inDownload
output.cmlDownload
Referenced by:

Manuscript title: Selective C-H bond functionalization of unprotected indoles by donor-acceptor carbene insertion

Journal: Adv. Synth. Catal.

DOI: 10.1002/adsc.202300252

Full metadata record
DC FieldValueLanguage
dc.contributor.authorMorán, Lucía-
dc.date.accessioned2023-07-10T13:10:23Z-
dc.date.available2023-07-10T13:10:23Z-
dc.date.created2023-07-10T15:10:22.215+02:00-
dc.date.issued2023-07-10T15:10:22.215+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/61743-
dc.descriptioncat_7H2O-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Selective C-H bond functionalization of unprotected indoles by donor-acceptor carbene insertion DOI: 10.1002/adsc.202300252 Journal: Adv. Synth. Catal.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-285-
dc.relation.urihttp://dx.doi.org/10.1002/adsc.202300252-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectDonor-acceptor-
dc.subjectSelective C-H functionalization-
dc.subjectCarbene transfer-
dc.subjectN-H bond-
dc.subjectIndole functionalization-
dc.titlecat_7H2O-
dc.typedataset-
dc.date.updated2023-07-10T13:10:23Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherAM64L-G16RevA.03en
cml.methodRwB97XDen
cml.basisset6-31G(D) LANL2DZ GENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge1en
cml.energy.value-2714.5325637en
cml.energy.unitsEhen
cml.formula.genericC46H58CuN3O3Pen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Cu-ADAP_Indole - DOI: 10.19061/iochem-bd-1-285



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/61743

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