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Collection of: A coupled Density Functional Theory-Microkinetic modeling for the hydrodeoxygenation of glycerol to propylene on MoO3 Collection home page
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DOI: 10.19061/iochem-bd-1-81
This dataset derived results are published in:
Manuscript title: A coupled Density Functional Theory-Microkinetic modeling for the hydrodeoxygenation of glycerol to propylene on MoO3
Journal: ACS Sustain. Chem. Eng.
View as
- ROOT
- 12Enol_Acetol
- 13Enol_HP
- 13Proanediol_2Propenol
- 1Propanol_Propylene
- 1Propenol_Propanal
- 2Propanol_Propylene
- 2Propenol_Propylene
- Acetol_PG
- Acrolein_1Propenol
- Acrolein_2Propenol
- Gly_12Enol
- Gly_13Enol
- HP_13Propanediol
- HP_Acrolein
- PG_1Propenol
- PG_2Propenol
- PG_Propen_2_ol
- Propanal_1Propanol
- Propanone_2Propanol
- Propen2ol_Propanone
- Vacancy_formation
- molecules
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Program name
- 136 vasp
Calculation type