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Institute for Catalysis, Hokkaido University
ICReDD Fellow
Related Website

hasegawa atmark cat.hokudai.ac.jp

About the Research

Research Theme

Catalysis Theory and Catalysis Principle


Electronic structure, Molecular simulation
Research History

See my page.

Representative Research Achievements

  • Theoretical Study on the C-H Activation of Methane by Liquid-Metal Indium: Catalytic Activity of Small Indium Clusters
    Y. Ohtsuka, Y. Nishikawa, H. Ogihara, I. Yamanaka, M. Ratanasak, A. Nakayama, J. Hasegawa, J. Phys. Chem. A, 2019, 123, 8907-8912
    DOI: 10.1021/acs.jpca.9b06374
  • A First-Order Interacting Space Approach to Excited-State Molecular Interaction: Solvatochromic Shift of p-Coumaric Acid and Retinal Schiff Base
    K. Yanai, K. Ishimura, A. Nakayama, J. Hasegawa, J. Chem. Theory Comput., 2018, 14, 3643-3655
    DOI: 10.1021/acs.jctc.7b01089
  • Catalytic Cyclopropanation by Myoglobin Reconstituted with Iron Porphycene: Acceleration of Catalysis due to Rapid Formation of the Carbene Species
    K. Oohora, H. Meichin, L. Zhao, M. Wolf, A. Nakayama, J. Hasegawa, N. Lehnert, and T. Hayashi, J. Am. Chem. Soc., 2017, 139, 17265–17268
    DOI: 10.1021/jacs.7b10154
  • A DFT and multi-configurational perturbation theory study on O2 binding to a model heme compound via the spin-change barrier
    Y. Kitagawa, Y. Chen, N. Nakatani, A. Nakayama, and J. Hasegawa, Phys. Chem. Chem. Phys., 2016, 18, 18137-18144
    DOI: 10.1039/C6CP02329K
  • Bifunctional Porphyrin Catalysts for the Synthesis of Cyclic Carbonates from Epoxides and CO2: Structural Optimization and Mechanistic Study
    T. Ema, Y. Miyazaki, J. Shimonishi, C. Maeda, and J. Hasegawa, J. Am. Chem. Soc., 2014, 136, 15270-15279
    DOI: 10.1021/ja507665a

Related Research



  • Mitigating the Poisoning Effect of Formate During CO2 Hydrogenation to Methanol over Co-Containing Dual-Atom Oxide Catalysts
    N. H. M. Dostagir, C. R. Tomuschat, K. Oshiro, M. Gao, J. Y. Hasegawa, A. Fukuoka, A. Shrotri, Jacs Au, 2024, ,
    DOI: 10.1021/jacsau.3c00789


  • Unravelling the Anomalous Coking Resistance over Boron Nitride-Supported Ni Catalysts for Dry Reforming of Methane
    Deng, J., Gao, M., Hasegawa, J. Y., Zhang, X. Y., Wang, A. Y., Chen, A. L., Zhang, D. S., Ccs Chemistry, 2023, 5, 2111-2124
    DOI: 10.31635/ccschem.022.202202342
  • Theoretical Investigation of the Alkali Metal Poisoning Tolerance Mechanism of CeO2-Containing Fe and H2SO4 Additives
    K. Oshiro, M. Gao, L. P. Han, D. S. Zhang, J. Y. Hasegawa, J. Phys. Chem. C, 2023, 127, 38, 18914-18925
    DOI: 10.1021/acs.jpcc.3c03644
  • Crystal-in-Amorphous Vanadate Catalysts for Universal Poison-Resistant Elimination of Nitric Oxide
    J. Deng, S. X. Cai, M. Gao, J. Y. Hasegawa, H. Y. Yao, Y. J. Shen, Z. P. Si, J. Y. Song, D. S. Zhang, Acs Catalysis, 2023, 13, 18, 12363–12373
    DOI: 10.1021/acscatal.3c02571
  • Dynamic Behavior of Intermediate Adsorbates to Control Activity and Product Selectivity in Heterogeneous Catalysis: Methanol Decomposition on Pt/TiO2(110)
    C. Liu, B. Lu, H. Ariga-Miwa, S. Ogura, T. Ozawa, K. Fukutani, M. Gao, J. Y. Hasegawa, K. Shimizu, K. Asakura, S. Takakusagi, J. Am. Chem. Soc., 2023, ,
    DOI: 10.1021/jacs.3c06405
  • Frontispiece: Synthesis of Bicyclo[1.1.1]pentane (BCP)-Based Straight-Shaped Diphosphine Ligands
    H. Takano, H. Katsuyama, H. Hayashi, M. Harukawa, M. Tsurui, S. Shoji, Y. Hasegawa, S. Maeda, T. Mita, Angew. Chem., Int. Ed., 2023, 62,
    DOI: 10.1002/anie.202382362


  • Iron/Photosensitizer Hybrid System Enables the Synthesis of Polyaryl-Substituted Azafluoranthenes
    Y. Kato, T. Yoshino, M. Gao, J. Y. Hasegawa, M. Kojima, S. Matsunaga, J. Am. Chem. Soc., 2022, ,
    DOI: 10.1021/jacs.2c06993
  • Photoinduced Copper-Catalyzed Asymmetric Acylation of Allylic Phosphates with Acylsilanes
    Y. Ueda, Y. Masuda, T. Iwai, K. Imaeda, H. Takeuchi, K. Ueno, M. Gao, J. Y. Hasegawa, M. Sawamura, J. Am. Chem. Soc., 2022, 144, 2218-2224
    DOI: 10.1021/jacs.1c11526