On the mechanism of nonradiative decay of DNA bases: Ab initio and TDDFT results for the excited states of 9H-adenine

Keyphrases

• Non-radiative Decay 100%
• Excited States 100%
• Conical Intersection 100%
• Potential Energy Function 100%
• DNA Sequencing 100%
• Time-dependent Density Functional Theory 100%
• Minimum Energy 50%
• Amino 50%
• Bond Length 50%
• Reaction Pathway 50%
• Ultrafast 50%
• Density Functional Theory 50%
• Potential Energy Profile 50%
• Complete Active Space Self-consistent Field (CASSCF) 50%
• Singlet Excited State 50%
• Rydberg States 50%
• Nonradiative Deactivation 50%
• Predissociation 50%
• Low-lying Excited States 50%
• Azines 50%
• Active Hydrogen 50%
• Out-of-plane Motion 50%

Chemistry

• Deoxyribonucleic Acid 100%
• Excited State 100%
• Adenine 100%
• Potential Energy Function 66%
• Ground State 33%
• Bond Length 33%
• Density Functional Theory 33%
• Reaction Path 33%
• CASSCF Calculation 33%
• Excited Singlet State 33%
• Rydberg State 33%
• Predissociation 33%
• Hydrogen Atom 33%
• Potential Energy 33%
• Azines 33%
• electronics 33%