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dc.contributor.authorLi, Qiang-
dc.date.accessioned2017-04-11T16:05:07Z-
dc.date.available2017-04-11T16:05:07Z-
dc.date.created2017-04-11T18:05:06.279+02:00-
dc.date.issued2017-04-11T18:05:06.279+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/2057-
dc.description2x2-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-34-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectNi2P-
dc.subjectAmmonia-Borane-
dc.subjectNiCoP-
dc.subjectDFT-
dc.subjectHydrolytic Dehydrogenation-
dc.title/Ni3P2/opt 2x2-
dc.typedataset-
dc.date.updated2017-04-11T16:05:07Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Jan 17 2013 15:17:09) complexen
cml.shelltypeClosed shellen
cml.energy.value-527.05352275en
cml.energy.unitseVen
cml.formula.genericN/Aen
cml.calculationtypeSingle pointen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:AB_NiCoP - DOI: 10.19061/iochem-bd-1-34



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/2057

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