About the Research
Research Theme
Computational chemistry
Keyword
DFT, Reaction Mechanism, Homogeneous Catalysis
Research Outline
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.
Representative Research Achievements
- 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
DOI: 10.1021/acs.joc.8b02917
Publications
2021
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Observation of Borane-Olefin Proximity Interaction Governing the Structure and Reactivity of Boron-Containing Macrocycles
, K. Matsunagi, J. Kashida, Y. Shoji, C. Ozen, S. Maeda, T. Fukushima, Angew. Chem., Int. Ed., 2021, ,
DOI: 10.1002/anie.202103512
2020
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A Theoretical Study on the Alkali Metal Carboxylate-PromotedL-Lactidepolymerization
, T. Satoh, S. Maeda, Journal of Computational Chemistry, 2020, 41, 2197-2202
DOI: 10.1002/jcc.26386
2019
-
A Theoretical Study on the Mechanism of the Oxidative Deborylation/C-C Coupling Reaction of Borepin Derivatives
, Y. Shoji, T. Fukushima, S. Maeda, J. Org. Chem., 2019, 84, 1941-1950
DOI: 10.1021/acs.joc.8b02917