Quantum catalysis: The modeling of catalytic transition states

Engineering & Materials Science

• Catalysis 100%
• Solvation 60%
• Organometallics 56%
• Density functional theory 56%
• Electronic structure 55%
• Transition metals 55%
• Metals 48%
• Isotopes 46%
• Free energy 44%
• Enzymes 43%
• Electrostatics 40%
• Chemical activation 33%
• Oxides 32%
• Catalysts 31%
• Trajectories 26%
• Set theory 24%
• Geometry 22%

Chemical Compounds

• Orbital 62%
• Transition State 61%
• Valence Bond Calculation 53%
• Catalysis 48%
• Homogeneous Catalysis 47%
• Free Energy of Activation 46%
• Heterogeneous Catalysis 41%
• Kinetic Isotope Effect 41%
• Nonequilibrium 40%
• Tunneling 38%
• Metallocene 33%
• Solvation 32%
• Metal Oxide 31%
• Zeolite 28%
• Electronic State 27%
• Transition Element 27%
• Molecular Cluster 24%
• Surface 23%
• Density Functional Theory 23%
• Metal 16%