DFT, Reaction Mechanism, Homogeneous Catalysis
My research topic is about elucidating the mechanism of various organic reactions including polymerization in presence or absence of a catalyst by means of computational chemistry tools.
- A Theoretical Study on the Mechanism of the Oxidative Deborylation/C-C Coupling Reaction of Borepin Derivatives
C. Ozen, Y. Shoji, T. Fukushima, S. Maeda, J. Org. Chem., 2019, 84, 1941−1950