By Chloe Boyd, Stephen Case, Abigail Seputro Faculty Mentor: Leanna Giancarlo Abstract To identify the rate-determining step and the most stable transition state for the Haber-Bosch synthesis of gas-phase ammonia, electronic structure calculations for the reactants (N2, H2, NNH2, H2NNH2, HNNH3), intermediates, and transition states were found using the program GAMESS and the basis sets…