Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
INCARDownload
output.cmlDownload
Referenced by:

Manuscript title: Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds

Journal: Natl Sci Rev

DOI: 10.1093/nsr/nwy048

Full metadata record
DC FieldValueLanguage
dc.contributor.authorFako, Edvin-
dc.date.accessioned2018-01-31T10:12:40Z-
dc.date.available2018-05-30T14:27:35Z-
dc.date.created2018-01-31T11:12:38.622+01:00-
dc.date.issued2018-01-31T11:12:38.622+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/8707-
dc.descriptions1-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds DOI: 10.1093/nsr/nwy048 Journal: Natl Sci Rev*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-75-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlePHI_s-
dc.typedataset-
dc.date.updated2018-01-31T10:12:40Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyen
cml.shelltypeClosed shellen
cml.energy.value-3140.92615911en
cml.energy.unitseVen
cml.formula.genericC144H36N204Pden
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds - DOI: 10.19061/iochem-bd-1-75



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/8707

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