ONO, Yuriko

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ONO, Yuriko
TAKETSUGU, Tetsuya Group
Principal Investigator
Faculty Members
Postdoctoral Fellows
Research Collaborators
Staff
  • KANOU, Naoko

About the Research

Research Theme

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

Keyword

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