Computational assessment of 1,3-dipolar cycloaddition of nitrile oxides with ethene and [60]fullerene

Keyphrases

• Fullerene 100%
• 1,3-dipolar Cycloaddition 100%
• Ethene 100%
• Computational Assessment 100%
• Nitrile Oxide 100%
• Gas Phase 33%
• B3LYP 33%
• Room Temperature 33%
• Kinetic Parameters 33%
• Electron-withdrawing 33%
• Thermodynamic Parameters 33%
• DFT Method 33%
• Reactivity Indices 33%
• Group Electronegativity 33%
• Energetic Parameters 33%
• 1,3-Dipolar Cycloaddition Reaction 33%
• Atypical Behavior 33%

Chemistry

• Ethylene 100%
• 1,3-cycloaddition 100%
• Fullerene 100%
• Nitrile Oxide 100%
• Pharmacokinetics 33%
• DFT-B3LYP Calculation 33%
• Energetics 33%
• Ambient Reaction Temperature 33%
• Electronegativity 33%
• Density Functional Theory 33%
• Thermodynamics 33%