Excited state intramolecular proton transfer in 1-(trifluoroacetylamino) naphthaquinone: A CASPT2//CASSCF computational study

Chemical Compounds

• Proton Transfer 87%
• Excited State 77%
• Potential Energy Surface 46%
• Transfer Reaction 45%
• Monte Carlo Method 25%
• Solvent Effect 23%
• Ground State 19%
• Molecular Dynamics 17%
• Electronic State 17%
• Force 16%
• Simulation 15%
• Energy 11%
• Surface 7%

Physics & Astronomy

• protons 63%
• excitation 47%
• potential energy 33%
• reaction products 21%
• field theory (physics) 19%
• critical point 17%
• simulation 14%
• electrostatics 14%
• electronic structure 14%
• molecular dynamics 14%
• ground state 12%
• energy 5%

Medicine & Life Sciences

• Protons 100%
• Static Electricity 38%
• Molecular Dynamics Simulation 36%