ONO, Yuriko

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ONO, Yuriko
Specially Appointed Assistant Professor
TAKETSUGU, Tetsuya Group
Principal Investigator
Faculty Members
Postdoctoral Fellows
Research Collaborators

About the Research

Research Theme

Enhance Function of AFIR : Visualization and Parallellization, Theoretical calculation of organic synthesis using transition metal catalysts


GRRM visualization, Reaction Path Mapping, Excited State, Isotope Chemistry, Noble Gas Compounds
Research Outline

I have been working on the following:

  1. Theoretical calculation of organic synthesis using transition metal catalysts
  2. Mapping of reaction paths obtained by GRRM
  3. Excited state calculations of transition metal complexes and rare-earth complexes
  4. Theoretical prediction of novel noble gas compounds
  5. Isotope chemistry.

Representative Research Achievements

  • Fundamental Peak Disappears upon Binding of a Noble Gas: A Case of the Vibrational Spectrum of PtCO in an Argon Matrix
    Y. Ono, K. Yagi, T. Takayanagi, T. Taketsugu, Phys. Chem. Chem. Phys., 2018, 20, 3296–3302
    DOI: 10.1039/C7CP06713E
  • Analyses of Trajectory On-the-Fly Based on the Global Reaction Route Map
    T. Tsutsumi, Y. Harabuchi, Y. Ono, S. Maeda, T. Taketsugu, Phys. Chem. Chem. Phys.,  2018, 20, 1364–1372
    DOI: 10.1039/C7CP06528K
  • Visualization of the Intrinsic Reaction Coordinate and Global Reaction Route Map by Classical Multidimensional Scaling
    T. Tsutsumi, Y. Ono, Z. Arai, T. Taketsugu, J. Chem. Theory Comput., 2018, 14, 4263–4270
    DOI: 10.1021/acs.jctc.8b00176

Related Research



  • Dimetal-Binding Scaffold 2-(Pyridin-2-Yl)imidazo 1,5-b Pyridazine-7-Ylidene: Synthesis of Trinuclear Heterobimetallic Complexes Involving Gold-Metal Interactions
    A. Kitabayashi, Y. Ono, T. Taketsugu, M. Sawamura, K. Higashida, Chem. Eur. J., 2023, ,
    DOI: 10.1002/chem.202301673


  • Multi-State Energy Landscape for Photoreaction of Stilbene and Dimethyl-Stilbene
    T. Tsutsumi, Y. Ono, T. Taketsugu, J. Chem. Theory Comput., 2022, ,
    DOI: 10.1021/acs.jctc.2c00560
  • Theoretical Study of Carbon Isotope Effects in the Nonclassical Carbonyl Cation CO/ M(CO)(n) (+) (M = Cu, Ag, Au; n=1-4)
    Y. Ono, T. Tsutsumi, Y. Harabuchi, T. Taketsugu, Y. Fujii, Chemical Physics Letters, 2022, 806,
    DOI: 10.1016/j.cplett.2022.140008
  • Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space
    T. Tsutsumi, Y. Ono, T. Taketsugu, Topics in Current Chemistry, 2022, 380,
    DOI: 10.1007/s41061-022-00377-7


  • Visualization of Reaction Route Map and Dynamical Trajectory in Reduced Dimension
    T. Tsutsumi, Y. Ono, T. Taketsugu, Chem. Commun., 2021, 57, 11734-11750
    DOI: 10.1039/d1cc04667e


  • Visualization of the Dynamics Effect: Projection of On-the-Fly Trajectories to the Subspace Spanned by the Static Reaction Path Network
    T. Tsutsumi, Y. Ono, Z. Arai, T. Taketsugu, J. Chem. Theory Comput., 2020, 16, 4029-4037
    DOI: 10.1021/acs.jctc.0c00018


  • Photoluminescence Properties of [Core plus exo]-Type Au-6 Clusters: Insights into the Effect of Ligand Environments on the Excitation Dynamics
    Y. Shichibu, MZ. Zhang, T. Iwasa, Y. Ono, T. Taketsugu, S. Omagari, T. Nakanishi, Y. Hasegawa, K. Konishi, J. Phys. Chem. C, 2019, 123, 6934-6939
    DOI: 10.1021/acs.jpcc.9b01810


  • Functionalization of Coordination Nanochannels for Controlling Tacticity in Radical Vinyl Polymerization
    T. Uemura, Y. Ono, Y. Hijikata, S. Kitagawa, J. Am. Chem. Soc., 2010, 132, 4917-4924
    DOI: 10.1021/ja100406k