Interaction of biologically important organic molecules with the unsaturated copper centers of the HKUST-1 metal-organic framework: An ab-initio study

Engineering & Materials Science

• Metal-Organic Frameworks 100%
• Caffeine 61%
• Molecules 60%
• Copper 50%
• Hydrogen bonds 34%
• Atoms 25%
• Density functional theory 18%
• Drug delivery 16%
• Catalysis 16%
• Urea 15%
• Adsorption 12%
• Nitrogen 11%
• Oxygen 9%
• Gases 7%

Physics & Astronomy

• caffeine 58%
• copper 44%
• carboxylates 34%
• molecules 32%
• metals 31%
• glycine 31%
• hydrogen bonds 25%
• drugs 24%
• interactions 24%
• ureas 15%
• nitrogen atoms 14%
• catalysis 14%
• oxygen atoms 12%
• delivery 11%
• density functional theory 9%
• adsorption 9%
• energy 7%
• gases 6%
• atoms 6%

Chemical Compounds

• Organic Molecule 57%
• Metal Organic Framework 53%
• Caffeine 41%
• Hydrogen Bond 15%
• Copper Atom 14%
• Drug Carrier 13%
• Molecule 12%
• Energy 11%
• Nitrogen Atom 10%
• Oxygen Atom 9%
• Urea 9%
• Catalysis 7%
• Strength 7%
• Density Functional Theory 7%
• Drug 6%
• Gas 6%
• Adsorption 6%