Quantum chemical characterization of methane metathesis in L₂MCH₃ (L = H, Cl, Cp, Cp*; M = Sc, Y, Lu)

Physics & Astronomy

• metathesis 100%
• methane 54%
• ligands 42%
• characterization 32%
• ejection 17%
• enthalpy 15%
• activation 13%
• dimerization 10%
• density functional theory 6%
• predictions 4%
• metals 4%
• temperature 2%
• energy 2%

Chemical Compounds

• Metathesis Reaction 59%
• Methane 46%
• Tunneling 17%
• Ligand 14%
• Activation Enthalpy 10%
• Dimerization 7%
• Enthalpy 6%
• Rate Constant 5%
• Density Functional Theory 5%
• Energy 3%