Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

Physics & Astronomy

• chemical reactions 91%
• potential energy 85%
• expansion 42%
• isomerization 39%
• field theory (physics) 34%
• molecular orbitals 33%
• eigenvalues 28%
• vapor phases 26%
• density functional theory 25%
• electronic structure 25%
• products 21%
• geometry 18%
• matrices 18%
• approximation 17%
• electronics 17%

Chemical Compounds

• Molecular Mechanic 100%
• Potential Energy Surface 96%
• Adiabatic Potential 52%
• Hamiltonian 38%
• Ab Initio Calculation 29%
• Isomerization 26%
• Electronic State 24%
• Force 22%
• Rate Constant 22%
• Density Functional Theory 20%
• Application 10%