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Manuscript title: Mechanistic Insights into the Ceria-catalyzed Synthesis of Carbamates as Polyurethane Precursors

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dc.contributor.authorRellán, Marcos-
dc.date.accessioned2019-04-17T13:46:05Z-
dc.date.available2019-07-23T08:39:05Z-
dc.date.created2019-04-17T15:46:03.733+02:00-
dc.date.issued2019-04-17T15:46:03.733+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/19672-
dc.descriptionTS for the methoxycarbonylation of MeTDA2 on para position on (111) surface-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Mechanistic Insights into the Ceria-catalyzed Synthesis of Carbamates as Polyurethane Precursors*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Methoxycarbonylation_of_MeTDA2_to_MeMC4 TSmethoxy_111-
dc.typedataset-
dc.date.updated2019-04-17T13:46:05Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-1348.03925861en
cml.energy.unitseVen
cml.formula.genericC10H14Ce48N2O98en
cml.calculationtypeImproved Dimer Methoden
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Collection of: Mechanistic Insights into the Ceria-catalyzed Synthesis of Carbamates as Polyurethane Precursors - DOI: 10.19061/iochem-bd-1-118



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/19672

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