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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 Field | Value | Language |
|---|---|---|
| dc.contributor.author | Rellán, Marcos | - |
| dc.date.accessioned | 2017-10-24T14:29:18Z | - |
| dc.date.available | 2017-11-16T15:01:19Z | - |
| dc.date.created | 2017-10-24T16:29:17.308+02:00 | - |
| dc.date.issued | 2017-10-24T16:29:17.308+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/6141 | - |
| dc.description | Dissociative adsorption of mannose on H3PMo12O40 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original 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.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Keggin_POM_catalyst/Gaussian_Benchmark Mdiss-PBE_TZP | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-10-24T14:29:18Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RPBEPBE | en |
| cml.basisset | 6-311G* | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -51756.6476296 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C6H15Mo12O46P | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| 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/100/6141
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