Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
BC-Ligand_DMF.inDownload
output.cmlDownload
Referenced by:

Manuscript title: New Vistas in Transmetalation with Discrete “AgCF3” Species: Implications in Pd‐Mediated Trifluoromethylation Reactions

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201802586

Full metadata record
DC FieldValueLanguage
dc.contributor.authorMudarra, Ángel Luís-
dc.contributor.authorMudarra, Ángel Luís-
dc.date.accessioned2018-06-21T16:06:28Z-
dc.date.available2018-06-21T16:06:28Z-
dc.date.created2018-06-21T18:06:26.833+02:00-
dc.date.issued2018-06-21T18:06:26.833+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/9640-
dc.descriptionBc-Ligand_DMF-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: New Vistas in Transmetalation with Discrete “AgCF3” Species: Implications in Pd‐Mediated Trifluoromethylation Reactions DOI: 10.1002/chem.201802586 Journal: Chem. Eur. J.-
dc.relationOriginal title: New Vistas in Transmetalation with Discrete “AgCF3” Species: Implications in Pd‐Mediated Trifluoromethylation Reactions DOI: 10.1002/chem.201802586 Journal: Chem. Eur. J.-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-82-
dc.relation.urihttp://dx.doi.org/10.1002/chem.201802586-
dc.relation.urihttp://dx.doi.org/10.1002/chem.201802586-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/DMF_solvent Bc-Ligand_DMF-
dc.typedataset-
dc.date.updated2018-06-21T16:06:28Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRwB97XDen
cml.basisset6-31G(d)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1112.00363093en
cml.energy.unitsEhen
cml.formula.genericC26H20N2en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:New_Vistas_in_Transmetalation_with_Discrete_AgCF3_Species - DOI: 10.19061/iochem-bd-1-82



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/9640

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