ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
2c-pph3-22-c5.xyzDownload
2c-pph3-22-c5.inDownload
output.cmlDownload
Referenced by:

Manuscript title: Bulky ligands promote palladium-catalysed protodeboronation

Journal: Chem

DOI: 10.26434/chemrxiv-2024-cw8cs

Full metadata record
DC FieldValueLanguage
dc.contributor.authorSer, Cher Tian-
dc.date.accessioned2024-08-07T19:36:01Z-
dc.date.available2024-08-08T16:13:29Z-
dc.date.created2024-08-07T15:36:00.223409-04:00-
dc.date.issued2024-08-07T15:36:00.223409-04:00-
dc.identifier.urihttps://iochem-bd.matter.toronto.edu/browse/handle/100/2616-
dc.description2c-pph3-22-c5-opt-
dc.publisherMatter Lab-
dc.relationOriginal title: Bulky ligands promote palladium-catalysed protodeboronation DOI: 10.26434/chemrxiv-2024-cw8cs Journal: Chem*
dc.relation.urihttp://dx.doi.org/10.26434/chemrxiv-2024-cw8cs*
dc.rightsCC BY 4.0 (c) Matter Lab, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/2c-pph3/2c-pph3-22-c5 2c-pph3-22-c5-opt-
dc.typedataset-
dc.date.updated2024-08-07T19:36:01Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevC.01en
cml.methodRPBEPBEen
cml.basissetDEF2SVP DEF2SVP/W06en
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.energy.value-1951.26611205en
cml.energy.unitsEhen
cml.formula.genericC28H28BO5PPden
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs3en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Pd-catalysed_Protodeboronation



Please use this identifier to cite or link to this item: https://iochem-bd.matter.toronto.edu/browse/handle/100/2616

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