Comparison of the hybrid AM1/TIP3P and the OPLS functions through Monte Carlo simulations of acetic acid in water

Chemical Compounds

• Monte Carlo Method 76%
• Acetic Acid 55%
• Simulation 45%
• Distribution Function 44%
• Hydrogen Bond 44%
• Energy 34%
• Dipole Moment 33%
• Valence 31%
• Ab Initio Calculation 31%
• Solute 29%
• Polarization 27%
• Donor 24%
• Electron Particle 19%
• Aqueous Solution 18%
• Solvent 17%
• Molecule 12%

Engineering & Materials Science

• Hydrogen bonds 100%
• Acetic acid 94%
• Water 39%
• Dipole moment 38%
• Charge distribution 35%
• Distribution functions 24%
• Electrons 24%
• Molecules 23%
• Polarization 22%
• Fluids 15%

Physics & Astronomy

• acetic acid 96%
• water 41%
• hydrogen bonds 37%
• simulation 27%
• charge distribution 18%
• aqueous solutions 16%
• dipole moments 16%
• solutes 16%
• energy distribution 16%
• distribution functions 14%
• valence 13%
• nuclei 11%
• hydrogen 11%
• fluids 10%
• polarization 9%
• molecules 9%
• approximation 9%
• electrons 7%
• energy 5%