526220 Determination of H2O-Solvated Cationic Fe(III) Coordination Geometry in Fe-SSZ-13 Using Wavefunction Coupled-Cluster Parameterized Hybrid Density Functional Theory

Sichi LI and William F. Schneider, Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN
See more of this Session: Computational Catalysis I: Fundamentals
See more of this Group/Topical: Catalysis and Reaction Engineering Division