Photoinduced hydrogen-transfer reactions in pyridine-water clusters: Insights from excited-state electronic-structure calculations

Keyphrases

• Photoinduced 100%
• Pyridine 100%
• Water Cluster 100%
• Electronic Structure Calculations 100%
• Transfer Hydrogenation 100%
• Excited State Structures 100%
• Water Molecule 37%
• Local Minima 25%
• Proton Transfer Reaction 25%
• H-atom Transfer 25%
• Atom Transfer Reaction 25%
• Hydrogen Atom 12%
• Photoexcitation 12%
• Excited States 12%
• Barrier Height 12%
• Photogenerated Electrons 12%
• Adjacent Water 12%
• Ab Initio Methods 12%
• Transition State Calculation 12%
• Steepest Descent Path 12%
• Hydrogen Bonds (H-bonds) 12%

Chemistry

• Electronic State 100%
• Transfer Reaction 100%
• Excited State 100%
• Hydrogen Transfer 100%
• Proton Transfer 40%
• Transition State 20%
• Hydrogen Bonding 20%
• Calculation Method 20%
• Hydrogen Atom 20%