Accurate partial atomic charges for high-energy molecules using class IV charge models with the MIDI! basis set

Chemical Compounds

• Nitramine 100%
• Molecule 29%
• Solvation 24%
• Gibbs Free Energy 21%
• Polarization 21%
• Electron Correlation 17%
• Wave Function 16%
• Nitromethane 16%
• Dipole Moment 13%
• Condensation 10%
• Force 9%
• Density Functional Theory 8%
• Energy 6%
• Solvent 6%
• Reaction Yield 5%

Physics & Astronomy

• molecules 45%
• energy 25%
• solvation 17%
• charge distribution 15%
• free energy 12%
• nitromethane 11%
• RDX 10%
• polarization 8%
• field theory (physics) 7%
• atoms 7%
• dipole moments 7%
• condensation 6%
• interactions 6%
• wave functions 6%
• density functional theory 5%
• electrostatics 5%
• solid state 5%
• estimates 4%
• electrons 3%