Reaction mechanisms are investigated computationally and experimentally, and the symbiotic relationship between the two approaches pave the way towards complexes with improved catalyst performance.
Computational Gold Chemistry For Catalysis
Gold complexes are synthesized for catalytic applications. The structures, bonding, and reactivities of the complexes are investigated using computational methods, primarily Density Functional Theory (DFT).
Published June 22, 2023 12:15 PM
- Last modified Oct. 23, 2023 11:46 AM