Ab initio study of the excited-state coupled electron-proton-transfer process in the 2-aminopyridine dimer

Keyphrases

• Excited States 100%
• 2-aminopyridine 100%
• Ab Initio Study 100%
• Proton Transfer Mechanism 100%
• Single Proton Transfer 66%
• Avoided Crossing 66%
• Reaction Pathway 33%
• Radiation Effects 33%
• Photostability 33%
• Charge Transfer States 33%
• Internal Conversion 33%
• Low-lying 33%
• Complete Active Space Self-consistent Field (CASSCF) 33%
• Multireference 33%
• Energy Profile 33%
• DNA Sequencing 33%
• Watson-Crick 33%
• State Surface 33%
• Ab Initio Methods 33%
• Genetic Code 33%
• Induced mutation 33%
• Mimetic Model 33%
• Adiabatic Surface 33%
• MRMP2 33%

Chemistry

• Proton Transfer 100%
• Excited State 100%
• Transfer Process 100%
• Aminopyridine 100%
• dimer 100%
• Ground State 33%
• Reaction Path 33%
• Calculation Method 33%
• Pair-Base 33%
• Charge Transfer State 33%
• CASSCF Calculation 33%
• Monomer 33%
• Internal Conversion 33%
• electronics 33%
• DNA 33%