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DOI: 10.19061/iochem-bd-1-44
This dataset derived results are published in:
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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- ROOT
- Keggin_POM_catalyst
- Adsorption_assisted_by_a_water_molecule
- Adsorption_through_-O3H
- Explicit_water
- Gaussian_Benchmark
- Opening_ring
- MoO3-x(010)_catalyst
- Dehydration
- Solvated_Calculations
- Keggin_POM_catalyst
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