Exploring the Effects of Node Topology, Connectivity, and Metal Identity on the Binding of Nerve Agents and Their Hydrolysis Products in Metal-Organic Frameworks

Engineering & Materials Science

• Metal-Organic Frameworks 100%
• Hydrolysis 74%
• Binding energy 42%
• Topology 41%
• Metals 39%
• Density functional theory 26%
• Catalyst activity 11%
• Linear regression 8%
• Molecules 8%
• Screening 8%
• Oxides 7%
• Catalysts 7%
• Statistical methods 7%
• Water 4%
• Experiments 3%

Chemical Compounds

• Metal Organic Framework 53%
• Hydrolysis 38%
• Metal 27%
• Binding Energy 27%
• QSAR Study 21%
• Density Functional Theory 12%
• Molecular Cluster 6%
• Strength 6%
• Oxide 5%
• Amount 4%
• Catalyst 4%
• Molecule 3%