Excited-State Deactivation of Adenine by Electron-Driven Proton-Transfer Reactions in Adenine-Water Clusters: A Computational Study

Keyphrases

• Computational Study 100%
• Conical Intersection 100%
• Branching Ratio 100%
• Water Cluster 100%
• Proton Transfer Reaction 100%
• Excited State Deactivation 100%
• Water Molecule 50%
• Proton Transfer 50%
• Reaction Pathway 50%
• Aqueous Environment 50%
• Energy Harvesting 50%
• Photoexcitation 50%
• Reaction Mechanism 50%
• Photostability 50%
• Photoactivity 50%
• Barrier-free 50%
• Nonadiabatic Dynamics 50%
• Low-lying 50%
• Excited State Lifetime 50%
• Electronic Structure Methods 50%
• Ab Initio Electronic Structure 50%
• Water Splitting 50%
• Energy Profile 50%
• Proton Transfer Mechanism 50%
• Life-history Evolution 50%
• Excited-state Reaction Paths 50%
• Barrierless Reactions 50%
• OH Free Radicals 50%
• Hydrogen-bonded Water 50%

Chemistry

• Proton Transfer 100%
• Transfer Reaction 100%
• Excited State 100%
• Adenine 100%
• Reaction Path 18%
• Electronic State 9%
• Transfer Process 9%
• Radical (Chemistry) 9%
• Hydrogen 9%

Biochemistry, Genetics and Molecular Biology

• Adenine 100%
• Proton Transport 100%
• Dynamics 9%
• Lifespan 9%
• Photoreactivity 9%