ioChem-BD Browse module - Item page
Item metadata and files
Referenced by:
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 | 2017-10-24T14:29:26Z | - |
dc.date.available | 2017-11-16T15:01:20Z | - |
dc.date.created | 2017-10-24T16:29:25.467+02:00 | - |
dc.date.issued | 2017-10-24T16:29:25.467+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/6146 | - |
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-BP86_LANL2TZ | - |
dc.type | dataset | - |
dc.date.updated | 2017-10-24T14:29:26Z | - |
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 | -4849.42857097 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C6H15Mo12O46P | en |
cml.calculationtype | Single point Structure | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | true | 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/100/6146