Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization to Reproduce ab Initio Anisotropy

Chemical Compounds

• Polarizability 90%
• Anisotropy 82%
• Error 54%
• Polarization 43%
• Tetrapeptide 17%
• Dipeptide 14%
• Nucleic Acid 12%
• Block Like Crystal 9%
• Force 9%
• Molecular Cluster 9%
• Energy 6%
• Acid 5%
• Molecule 5%
• Application 4%

Engineering & Materials Science

• Parameterization 93%
• Anisotropy 91%
• Screening 25%
• Polarization 19%
• Coulomb interactions 17%
• Dimers 16%
• Tensors 16%
• Atoms 11%
• Dipeptides 9%
• Nucleic acids 8%
• Amino acids 6%
• Water 5%
• Molecules 5%
• Set theory 3%

Physics & Astronomy

• parameterization 100%
• anisotropy 55%
• screening 23%
• amoeba 17%
• tensors 12%
• polarization 11%
• interactions 10%
• dimers 9%
• electrostatics 8%
• dependent variables 7%
• nucleic acids 7%
• amino acids 6%
• water 6%
• atoms 5%
• analogs 4%
• molecules 2%
• energy 1%