Development of polarizable models for molecular mechanical calculations I: Parameterization of atomic polarizability

Chemical Compounds

• Polarizability 90%
• Error 65%
• Swarts Synthesis 28%
• Dihedral Angle 24%
• Refraction 18%
• Dipole 14%
• Molecule 5%

Physics & Astronomy

• parameterization 100%
• range errors 31%
• interactions 13%
• dihedral angle 7%
• molecules 5%
• refraction 4%
• inclusions 4%
• dipoles 4%
• atoms 2%
• performance 2%

Engineering & Materials Science

• Parameterization 93%
• Molecules 10%
• Dihedral angle 8%
• Refraction 7%
• Atoms 5%
• Sales 5%