A molecular electron density theory study of the participation of tetrazines in aza-Diels-Alder reactions

Keyphrases

• Theory Study 100%
• Molecular Electron Density Theory 100%
• Tetrazine 100%
• Aza-Diels-Alder Reaction 100%
• Ethylene 80%
• Electrophilic 60%
• Tetracyanoethylene 40%
• Electrophilicity 20%
• Nucleophilicity 20%
• Activation Energy 20%
• Nucleophilic 20%
• Conceptual DFT 20%
• Electron-withdrawing 20%
• Double Bond 20%
• Extrusion 20%
• DFT Index 20%
• Bonding Evolution Theory 20%
• Theory Analysis 20%
• Transition Structure 20%
• Activation Enthalpy 20%
• Domino Process 20%
• Depopulation 20%
• Dihydropyridazine 20%
• Global Electron Density Transfer 20%
• Molecular Nitrogen 20%
• Dinitro 20%

Chemistry

• Electron Density 100%
• Aza-Diels-Alder Reaction 100%
• Tetrazine 100%
• Ethylene 80%
• Electrophilicity 20%
• Nucleophilicity 20%
• Density Functional Theory 20%
• Reaction Activation Energy 20%
• Double Bond 20%
• Activation Enthalpy 20%