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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

Full metadata record
DC FieldValueLanguage
dc.contributor.authorRellán, Marcos-
dc.date.accessioned2017-10-24T14:29:05Z-
dc.date.available2017-11-16T15:01:18Z-
dc.date.created2017-10-24T16:29:04.449+02:00-
dc.date.issued2017-10-24T16:29:04.449+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/6134-
dc.descriptionTS for mannose dissociation on H3PMo12O40 assisted by a water molecule-
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.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Keggin_POM_catalyst/Adsorption_assisted_by_a_water_molecule M-TSdiss-
dc.typedataset-
dc.date.updated2017-10-24T14:29:05Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyen
cml.shelltypeClosed shellen
cml.energy.value-560.67011383en
cml.energy.unitseVen
cml.formula.genericC6H17Mo12O47Pen
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



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