meta and para substitution effects on the electronic state energies and ring-expansion reactivities of phenylnitrenes

Physics & Astronomy

• reactivity 82%
• congeners 69%
• substitutes 65%
• orbits 59%
• rings 56%
• expansion 51%
• electronics 42%
• configuration interaction 42%
• molecular orbitals 40%
• enthalpy 36%
• perturbation theory 34%
• activation 32%
• density functional theory 31%
• trends 30%
• electronic structure 30%
• ground state 27%
• energy 24%
• matrices 22%
• excitation 19%
• electrons 17%

Chemical Compounds

• Spin-Orbit Coupling 100%
• Ring Expansion 95%
• Electronic State 60%
• Triplet Ground State 56%
• Energy State 53%
• Substitution Reaction 51%
• Activation Enthalpy 50%
• Perturbation Theory 47%
• Intersystem Crossing [Singlet->triplet] 46%
• Excited Singlet State 44%
• Energy 38%
• Ab Initio Calculation 35%
• Donor 28%
• Density Functional Theory 25%
• Electron Particle 22%