Simulation of photophysical processes of indoles in solution

Keyphrases

• Indole 100%
• Photophysical 100%
• Partial Atomic Charges 100%
• Solute 80%
• Quantum Mechanical 40%
• Excited States 40%
• Electrostatic Potential 40%
• 3-Methylindole 40%
• Molecular Dynamics Simulation 20%
• Solvent-induced 20%
• Molecular Simulation 20%
• Wave Function 20%
• Electronic States 20%
• Gas Phase 20%
• Computational Study 20%
• Electronic Wave Functions 20%
• Solvent System 20%
• Potential Energy Function 20%
• Molecular Electrostatic Potential 20%
• Least Square Fitting 20%
• Solute-solvent 20%
• Configuration Interaction 20%
• Singlet Excited State 20%
• Polar Solutes 20%
• Quantum Mechanical Potentials 20%

Chemistry

• Indole 100%
• Electrostatic Potential 100%
• Excited State 66%
• Methylindole 66%
• Molecular Dynamics 33%
• Electronic State 33%
• Configuration Interaction 33%
• Excited Singlet State 33%
• ZINDO Calculation 33%
• Potential Energy Function 33%