ONO, Yuriko

ONO, Yuriko

Specially Appointed Assistant Professor

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

I have been working on the following:

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

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

Theoretical Design of Nanocatalysts Based on (Fe₂O₃)_n Clusters for Hydrogen Production from Ammonia
S. Ibragimov, A. Lyalin, S. Kumar, Y. Ono, T. Taketsugu, M. Bobrowski, J. Chem. Phys., 2025, 162, 054305
DOI: 10.1063/5.0242310

Acceleration of Reaction Space Projector Analysis Using Combinatorial Optimization: Application to Organic Chemical Reactions
L. Qu, T. Tsutsumi, Y. Ono, T. Taketsugu, J. Chem. Theory Comput., 2024, ,
DOI: 10.1021/acs.jctc.4c01072

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