Multiconfiguration molecular mechanics based on combined quantum mechanical and molecular mechanical calculations

Engineering & Materials Science

• Molecular mechanics 100%
• Electronic structure 53%
• Potential energy surfaces 29%
• Molecular interactions 13%
• Rate constants 11%
• Reaction rates 10%
• Potential energy 9%
• Chemical reactions 8%
• Interpolation 7%
• Hydrogen 7%
• Geometry 5%

Chemical Compounds

• Molecular Mechanic 61%
• Resonance 49%
• Electronic State 36%
• Potential Energy Surface 23%
• Tunneling 12%
• Potential Energy 12%
• Valence 10%
• Rate Constant 8%
• Purity 6%
• Energy 5%

Physics & Astronomy

• electronic structure 26%
• potential energy 22%
• borders 9%
• matrices 9%
• interpolation 8%
• reaction kinetics 8%
• chemical reactions 8%
• inclusions 7%
• valence 6%
• gradients 5%
• hydrogen 5%
• sensitivity 5%
• geometry 5%
• configurations 4%
• interactions 3%
• energy 2%