Ab initio reaction paths and direct dynamics calculations

Chemical Compounds

• Reaction Path 89%
• Electronic State 61%
• Transition State Theory 49%
• Surface Potential 46%
• Tunneling 42%
• Bimolecular Reaction 26%
• Organic Reaction 24%
• Perturbation Theory 24%
• Energy 19%

Engineering & Materials Science

• Electronic structure 100%
• Surface potential 45%
• Reaction rates 38%
• Chemical reactions 33%
• Geometry 10%

Physics & Astronomy

• electronic structure 50%
• reaction kinetics 30%
• chemical reactions 30%
• perturbation theory 14%
• prototypes 13%
• kinetics 10%
• energy 9%
• geometry 9%
• coefficients 9%