A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt (1 1 1): comparing chemical accuracy versus computational expense in different methods …

T Xie, S Sarupria, RB Getman - Molecular Simulation, 2017 - Taylor & Francis
Glycerol, which is one of the most abundant by-products in biodiesel production, can be
converted into H2 through aqueous-phase reforming (APR). Dehydrogenation is one of the …

[PDF][PDF] A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt (1 1 1): comparing chemical accuracy versus computational expense in different …

T Xie, S Sarupria, RB Getman - Molecular Simulation, 2017 - drive.google.com
Glycerol, which is one of the most abundant by-products in biodiesel production, can be
converted into H2 through aqueous-phase reforming (APR). Dehydrogenation is one of the …

A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt (1 1 1): comparing chemical accuracy versus computational expense in different methods …

T Xie, S Sarupria, RB Getman - Molecular Simulation, 2017 - experts.umn.edu
Glycerol, which is one of the most abundant by-products in biodiesel production, can be
converted into H 2 through aqueous-phase reforming (APR). Dehydrogenation is one of the …