Cyclooctatetraene computational photo- and thermal chemistry: A reactivity model for conjugated hydrocarbons

Keyphrases

• Photochemistry 100%
• Cyclooctatetraene 100%
• Conical Intersection 100%
• Reactivity Model 100%
• Conjugated Hydrocarbons 100%
• Thermal Chemistry 100%
• Excited States 50%
• Reaction Pathway 50%
• Photochemical Reaction 50%
• Double Bond 50%
• Thermal Reaction 50%
• High Energy 25%
• Low Energy 25%
• Complex Networks 25%
• Singlet 25%
• Kink 25%
• CASPT2 25%
• Complete Active Space Self-consistent Field (CASSCF) 25%
• Nonadiabatic Transition 25%
• Ultrafast Decay 25%
• Cis-trans Photoisomerization 25%
• Tetraene 25%
• Cyclopropanation Reactions 25%
• Valence Isomerization 25%
• Photoisomerization Reaction 25%
• Cope Rearrangement 25%
• Excited-state Reaction Paths 25%
• Ring Inversion 25%
• Tetraradicals 25%
• Conical Ground 25%
• Semibullvalene 25%

Chemistry

• Chemistry 100%
• Excited State 100%
• Reaction Path 100%
• Relaxation 66%
• Double Bond 66%
• Photochemical Reaction 33%
• Ground State 33%
• CASSCF Calculation 33%
• Photoisomerization 33%
• Cope Rearrangement 33%
• Isomerization 33%
• Photochemistry 33%
• Ring Inversion 33%