ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
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 | 2017-07-10T13:58:41Z | - |
| dc.date.available | 2017-11-16T15:01:22Z | - |
| dc.date.created | 2017-07-10T15:58:39.763+02:00 | - |
| dc.date.issued | 2017-07-10T15:58:39.763+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/5193 | - |
| dc.description | TS for associative desorption of mannose from 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.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-44 | - |
| 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.subject | Heterogeneous catalysis | - |
| dc.subject | Epimerization | - |
| dc.subject | Glucose | - |
| dc.subject | Mannose | - |
| dc.subject | Molybdenum Oxide | - |
| dc.subject | Keggin cluster | - |
| dc.subject | DFT | - |
| dc.subject | Polyoxometalates | - |
| dc.title | Keggin-TS_asso | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-07-10T13:58:41Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.3 | en |
| cml.program.other | 18Dez12 (build Apr 2 2013 15:16:02) gamma-only | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -545.59036880 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | N/A | en |
| cml.calculationtype | Improved Dimer Method | 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/100/5193
Item files in Browse 
HTML5 resume (see conditions inside)