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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.accessioned2017-10-24T14:29:26Z-
dc.date.available2017-11-16T15:01:20Z-
dc.date.created2017-10-24T16:29:25.467+02:00-
dc.date.issued2017-10-24T16:29:25.467+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/6146-
dc.descriptionDissociative adsorption of mannose on H3PMo12O40-
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/Gaussian_Benchmark Mdiss-BP86_LANL2TZ-
dc.typedataset-
dc.date.updated2017-10-24T14:29:26Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRPBEPBEen
cml.basisset6-311G*en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-4849.42857097en
cml.energy.unitsEhen
cml.formula.genericC6H15Mo12O46Pen
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Epimerization_of_glucose_mannose_pair_on_Mo-based_compounds



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