As a language model AI, I cannot perform quantum chemical calculations directly. However, I can guide you on how to perform these calculations using computational chemistry software.To determine the rate constant and activation energy for the reaction 2NO + O2 2NO2, you can follow these general steps:1. Choose a computational chemistry software: There are several quantum chemistry software packages available, such as Gaussian, ORCA, or GAMESS. You will need to choose one that suits your needs and computational resources.2. Build the molecular structures: Create the structures of the reactants NO and O2 , the transition state, and the product NO2 using a molecular editor or a software-specific input format.3. Choose a method and basis set: Select an appropriate level of theory e.g., DFT, MP2, CCSD T and basis set e.g., 6-31G d , cc-pVTZ for your calculations. The choice will depend on the accuracy you need and the computational resources available.4. Optimize the geometries: Perform geometry optimizations for the reactants, transition state, and product to obtain their minimum energy structures.5. Calculate the energies: Obtain the electronic energies for the optimized structures.6. Determine the activation energy: Calculate the activation energy Ea by subtracting the energy of the reactants from the energy of the transition state.7. Calculate the rate constant: Use transition state theory or another kinetic model to calculate the rate constant k for the reaction. This will require additional information, such as the temperature and the partition functions for the reactants and transition state.8. Analyze the results: Interpret the calculated rate constant and activation energy in the context of the reaction mechanism and experimental data.Keep in mind that these calculations can be computationally intensive and may require access to high-performance computing resources. Additionally, the accuracy of the results will depend on the chosen level of theory and basis set.