A first principles analysis of the location and affinity of protons in the secondary structure of phosphotungstic acid

Keyphrases

• Proton 100%
• Secondary Structure 100%
• Phosphotungstic Acid 100%
• First-principles Analysis 100%
• Keggin 75%
• Three-dimensional (3D) 25%
• Density Functional Theory 25%
• Dehydration 25%
• Water Molecule 25%
• Oxygen Atom 25%
• Relative Affinity 25%
• Nonlocal Gradient 25%
• Regular Lattice 25%
• Body-centered Cubic Structure 25%
• Two-terminal 25%
• Hexahydrate 25%
• Optimal Position 25%
• Heteropolyanion 25%
• Desorption Energy 25%
• Preferred Position 25%
• Periodic Calculations 25%
• Energy Advantage 25%

Chemistry

• First Principle 100%
• Secondary Structure 100%
• Body-Centered Cubic Crystal System 50%
• Desorption 50%
• Oxygen Atom 50%
• Density Functional Theory 50%