Self-consistent polarization of the boundary in the redistributed charge and dipole scheme for combined quantum-mechanical and molecular-mechanical calculations

Engineering & Materials Science

• Electronegativity 100%
• Protons 68%
• Polarization 51%
• Covalent bonds 31%
• Coulomb interactions 30%
• Charge distribution 27%
• Organic compounds 26%
• Charge transfer 24%
• Electrostatics 20%
• Conservation 18%
• Geometry 11%

Chemical Compounds

• Dipole 56%
• Proton Affinity 49%
• Electronegativity 45%
• Polarization 42%
• Covalent Bond 14%
• Error 10%
• Charge Transfer 9%
• Acid 4%

Physics & Astronomy

• dipoles 41%
• polarization 30%
• affinity 18%
• protons 11%
• electrostatics 8%
• covalent bonds 6%
• organic compounds 6%
• amino acids 6%
• embedding 5%
• charge distribution 5%
• conservation 5%
• charge transfer 4%
• adjusting 4%
• geometry 3%
• interactions 2%