Ab initio study of the solvent effects on the singlet-triplet gap of nitrenium ions and carbenes

Keyphrases

• Carbenes 100%
• Solvent Effect 100%
• Ab Initio Study 100%
• Nitrenium Ion 100%
• Singlet 50%
• Positive Charge 25%
• Electrostatic Interaction 25%
• Charge Distribution 25%
• Substituent Effect 25%
• Electron Density 25%
• Polarizable Continuum Model 25%
• Donor-acceptor 25%
• Central Atom 25%
• P Orbital 25%
• Isoelectronic 25%
• Ab Initio Molecular Orbital 25%

Chemistry

• Solvent Effect 100%
• Charge Distribution 50%
• Molecular Orbital 50%
• Donor 50%
• Electrostatic Interaction 50%
• Substituent Effect 50%