Acrolein oxidation to acrylic acid over the MoVO_x material. Insights from DFT modeling

Keyphrases

• Acrylic Acid 100%
• Acrolein 100%
• DFT Modeling 100%
• Low Energy 33%
• Hydrolysis 33%
• Active Sites 33%
• Large Energy 33%
• Catalytic Transformation 33%
• Water Effect 33%
• Commercially Important 33%
• Hybrid DFT 33%
• Embedded Cluster 33%

Chemistry

• Density Functional Theory 100%
• Acrolein 100%
• Acrylic Acid 100%
• Catalyst Type 33%
• Cluster Model 33%
• Enzymatic Hydrolysis 33%
• Density Functional Theory 33%

Earth and Planetary Sciences

• Acrolein 100%
• Acrylic Acid 100%
• Density Functional Theory 100%
• Density Functional Theory 33%