Full metadata record
DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other32Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyen
cml.shelltypeClosed shellen
cml.energy.value-147.11606109en
cml.energy.unitseVen
cml.formula.genericC12H10Pden
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesC1CCC(CC1)[Pd]C1CCCCC1en
dc.contributor.authorFako, Edvin-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-11-03T09:20:27Z-
dc.date.accessioned2019-05-04T11:46:21Z-
dc.date.available2018-06-25T15:04:03Z-
dc.date.available2019-05-04T11:46:21Z-
dc.date.created2017-11-03T10:20:26.39+01:00-
dc.date.issued2017-11-03T10:20:26.39+01:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/6426-
dc.descriptionatom_y-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling DOI: 10.1038/s41565-018-0167-2 Journal: Nat. Nanotechnol.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-76-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlePd-atom_y-
dc.typedataset-
dc.date.updated2017-11-03T09:20:27Z-
Appears in Collections:Pd SAHCs on ECN for Suzuki cross-coupling

Actions:

View dataDownload geometry
Files in This Item:
File Description Size 
INCAR760 BDownload
output.cml27.21 kBDownload
Referenced by:

Manuscript title: A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling

Journal: Nat. Nanotechnol.

DOI: 10.1038/s41565-018-0167-2



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/6426

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