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Manuscript title: A mechanism for the selective epimerization of the glucose mannose pair by Mo-based compounds: towards catalyst optimization

Journal: Green Chem.

DOI: 10.1039/C7GC02692G

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DC FieldValueLanguage
dc.contributor.authorRellán, Marcos-
dc.date.accessioned2017-07-10T13:57:44Z-
dc.date.available2017-11-16T15:01:26Z-
dc.date.created2017-07-10T15:57:43.639+02:00-
dc.date.issued2017-07-10T15:57:43.639+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/5155-
dc.descriptionHydrogen atom adsorbed on Ob of H4GeMo12O40-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: A mechanism for the selective epimerization of the glucose mannose pair by Mo-based compounds: towards catalyst optimization DOI: 10.1039/C7GC02692G Journal: Green Chem.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-44-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectHeterogeneous catalysis-
dc.subjectEpimerization-
dc.subjectGlucose-
dc.subjectMannose-
dc.subjectMolybdenum Oxide-
dc.subjectKeggin cluster-
dc.subjectDFT-
dc.subjectPolyoxometalates-
dc.titleH4GeMo12O40-ObH-
dc.typedataset-
dc.date.updated2017-07-10T13:57:44Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyen
cml.shelltypeOpen shellen
cml.energy.value-412.81443014en
cml.energy.unitseVen
cml.formula.genericN/Aen
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Epimerization_of_glucose_mannose_pair_on_Mo-based_compounds - DOI: 10.19061/iochem-bd-1-44



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/5155

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