The conversion of methanol CH3OH to formic acid HCOOH in the presence of a water molecule H2O can be described as a two-step reaction mechanism:Step 1: Proton transfer from methanol to waterCH3OH + H2O CH3O- + H3O+Step 2: Hydride transfer from the methoxide ion to the hydronium ionCH3O- + H3O+ HCOOH + H2OTo determine the transition state, activation energy, and Gibbs free energy of the reaction using quantum chemical calculations, you would need to perform the following steps:1. Choose an appropriate level of theory and basis set for the calculations. Commonly used methods include density functional theory DFT and ab initio methods like Hartree-Fock HF or Mller-Plesset perturbation theory MP2 . The basis set should be chosen based on the desired accuracy and computational cost.2. Optimize the geometry of the reactants, products, and transition states for each step of the reaction. This can be done using a geometry optimization algorithm in a quantum chemistry software package, such as Gaussian, ORCA, or NWChem.3. Calculate the vibrational frequencies of the optimized structures to confirm that the transition states have only one imaginary frequency corresponding to the reaction coordinate.4. Calculate the activation energy Ea for each step of the reaction by taking the difference in energy between the transition state and the reactants. The overall activation energy for the reaction is the highest activation energy among the two steps.5. Calculate the Gibbs free energy G for each step of the reaction by taking the difference in Gibbs free energy between the products and reactants. The overall Gibbs free energy for the reaction is the sum of the Gibbs free energies of the two steps.Note that performing these calculations requires specialized knowledge in quantum chemistry and access to appropriate software and computational resources. The results will provide insights into the reaction mechanism, transition state structures, and the thermodynamics and kinetics of the methanol to formic acid conversion in the presence of a water molecule.