/Solvated_Calculations M_diss_charge_-2

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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.

Full metadata record

DC Field	Value	Language
dc.contributor.author	Rellán, Marcos	-
dc.date.accessioned	2017-08-29T15:57:37Z	-
dc.date.available	2017-11-16T15:01:15Z	-
dc.date.created	2017-08-29T17:57:36.184+02:00	-
dc.date.issued	2017-08-29T17:57:36.184+02:00	-
dc.identifier.uri	https://iochem-bd.iciq.es/browse/handle/100/5564	-
dc.description	Dissociative adsorption of mannose on solvated [H1PMo12O40]-2	-
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	/Solvated_Calculations M_diss_charge_-2	-
dc.type	dataset	-
dc.date.updated	2017-08-29T15:57:37Z	-
cml.program.name	vasp	en
cml.program.version	5.3.3	en
cml.program.other	18Dez12 (build Jun 22 2017 15:47:22) gamma-only	en
cml.energy.value	-551.01851633	en
cml.energy.units	eV	en
cml.formula.generic	C6H13Mo12O46PSr	en
cml.calculationtype	N/A	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/100/5564

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