Benchmark of density functional theory methods for the study of organic polysulfides

Mathematics

• Density Functional Theory 100%
• Benchmark 67%
• Structure Optimization 59%
• Reaction Mechanism 53%
• Density Functional 50%
• Activation Energy 49%
• Benchmarking 48%
• Reactivity 47%
• Structural Parameters 45%
• Hybrid Method 38%
• Ground State 36%
• Synthesis 31%
• Optimization 26%
• Necessary 23%
• Energy 23%
• Model 11%

Chemical Compounds

• Density Functional Theory 42%
• Elemental Sulfur 39%
• Sulfur Atom 33%
• Cyanide 31%
• Nucleophile 30%
• Ground State 27%
• Reaction Activation Energy 23%
• Energy 16%