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Manuscript title: Design of Single Gold Atoms on Nitrogen‐Doped Carbon for Molecular Recognition in Alkyne Semi‐Hydrogenation

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/ange.201805820

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DC FieldValueLanguage
dc.contributor.authorFako, Edvin-
dc.date.accessioned2018-08-02T09:35:59Z-
dc.date.available2018-11-24T08:23:33Z-
dc.date.created2018-08-02T11:35:54.34+02:00-
dc.date.issued2018-08-02T11:35:54.34+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/10961-
dc.descriptionedin-clean-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Design of Single Gold Atoms on Nitrogen‐Doped Carbon for Molecular Recognition in Alkyne Semi‐Hydrogenation DOI: 10.1002/ange.201805820 Journal: Angew. Chem. Int. Ed.*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleN6-edge-
dc.typedataset-
dc.date.updated2018-08-02T09:35:58Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-2911.13458741en
cml.energy.unitseVen
cml.formula.genericC304H8N8en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Au_NC_hydrogenation



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/10961

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