Multilevel X-Pol: A fragment-based method with mixed quantum mechanical representations of different fragments

Engineering & Materials Science

• Electronic structure 100%
• Coulomb interactions 53%
• Hydrogen bonds 46%
• Enzymes 38%
• Molecules 32%
• Polarization 30%
• Large scale systems 28%
• Substrates 23%

Chemical Compounds

• Electronic State 49%
• Coupled Cluster Theory 45%
• Perturbation Theory 39%
• Solute 27%
• Polarization 25%
• Hydrogen 17%
• Energy 15%
• Acid 11%
• Molecule 11%
• Application 10%

Physics & Astronomy

• fragments 57%
• electronic structure 12%
• amino acids 9%
• complex systems 9%
• enzymes 9%
• ingredients 8%
• self consistent fields 8%
• functionals 7%
• solutes 7%
• perturbation theory 7%
• electrostatics 6%
• hydrogen 5%
• polarization 4%
• molecules 4%
• interactions 3%
• energy 2%