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  3. Selective hydrogenolysis of 5-hydroxymethylfurfural to 5 methylfurfural over Au/TiO?

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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.4.1en
cml.program.other05Feb16 (build Jul 31 2017 15:54:50) complexen
cml.methodDFTen
cml.shelltypeOpen shellen
cml.energy.value-2023.63716749en
cml.energy.unitseVen
cml.formula.genericC6H6O161Ti80en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCCCCCC.[Ti].[O]en
cml.formula.smilesCCCCCC.[Ti].[O]en
cml.formula.smilesCCCCCC.[Ti].[O]en
cml.formula.smilesCCCCCC.[Ti].[O]en
cml.formula.smilesCCCCCC.[Ti].[O]en
cml.formula.smilesCCCCCC.[Ti].[O]en
dc.contributor.authorMorales-Vidal, Jordi-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2023-05-01T09:03:10Z-
dc.date.accessioned2023-05-20T10:19:36Z-
dc.date.available2023-05-20T10:16:08Z-
dc.date.available2023-05-20T10:19:36Z-
dc.date.created2023-05-01T11:03:08.79+02:00-
dc.date.issued2023-05-01T11:03:08.79+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/332621-
dc.descriptionMF adsorbed on r-TiO₂(110) with one oxygen vacancy-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Selective hydrogenolysis of 5-hydroxymethylfurfural to 5 methylfurfural over Au/TiO? DOI: 10.1016/j.apcatb.2023.122893 Journal: Appl. Catal., B*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-276-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Energy-profiles/r-TiO₂-1vac r-MF-
dc.typedataset-
dc.date.updated2023-05-01T09:03:10Z-
Appears in Collections:Selective hydrogenolysis of 5-hydroxymethylfurfural to 5 methylfurfural over Au/TiO?

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Manuscript title: Selective hydrogenolysis of 5-hydroxymethylfurfural to 5 methylfurfural over Au/TiO?

Journal: Appl. Catal., B

DOI: 10.1016/j.apcatb.2023.122893

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Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/332621

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