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dc.contributor.authorPrslja, Paulina-
dc.date.accessioned2021-06-22T12:49:18Z-
dc.date.available2021-11-10T10:09:57Z-
dc.date.created2021-06-22T14:49:17.008+02:00-
dc.date.issued2021-06-22T14:49:17.008+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/29802-
dc.descriptionCoTPP/MWCNT with adsorbed coh intermediate-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-209-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/CoTPP_MWCNT coh-
dc.typedataset-
dc.date.updated2021-06-22T12:49:18Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-2057.87879929en
cml.energy.unitseVen
cml.formula.genericC207H29CoN4Oen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:eCO2rr-CoTPP-MWCNT - DOI: 10.19061/iochem-bd-1-209



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/29802

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