Monte Carlo Quantum Mechanical-Configuration Interaction and Molecular Mechanics Simulation of Solvent Effects on the n → π∗ Blue Shift of Acetone

Chemical Compounds

• Molecular Mechanic 51%
• Solvent Effect 49%
• Acetone 40%
• Blue 37%
• Simulation 32%
• Electronic Excitation 31%
• Aqueous Solvent 30%
• Monte Carlo Method 27%
• Polar Solvent 25%
• Solvent 24%
• Organic Solvent 19%
• Red 18%

Medicine & Life Sciences

• Molecular Conformation 82%
• Acetone 61%
• Mechanics 54%
• Photochemical Processes 16%
• Monte Carlo Method 12%

Engineering & Materials Science

• Molecular mechanics 83%
• Acetone 66%
• Organic solvents 14%