Theoretical study of the molecular mechanism of the Li(²S_1/2) + N₂O(X¹∑⁺) reaction

Keyphrases

• Molecular Mechanism 100%
• Complete Active Space Self-consistent Field (CASSCF) 100%
• Nitrous Oxide 50%
• Oxide-based 50%
• Energy Barrier 50%
• Oxidation Reaction 50%
• Second-order Perturbation Theory 50%
• Transition Region 50%
• Potential Energy Surface 50%
• Ab Initio Calculations 50%
• Large Energy 50%
• Low-lying 50%
• Energy Separation 50%
• Photoelectron 50%
• Avoided Crossing 50%
• Lithium Atom 50%
• Adiabatic Potential Energy Surfaces 50%

Chemistry

• Potential Energy Surface 100%
• CASSCF Calculation 100%
• Nitrous Oxide 100%
• Oxidation Reaction 50%
• Energy Barrier 50%
• k·p perturbation theory 50%
• Møller-Plesset Perturbation Theory 50%
• Ab Initio Calculation 50%
• Adiabatic Potential 50%
• Lithium Atom 50%
• Perturbation Theory 50%
• Photoelectron 50%