Takafumi Shiraogawa

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Assistant Professor

Institute for Molecular Science

Japan

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Recent Grants

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Development of Theoretical Design Methods of Catalysts Based on Electronic Structure Theory and Their Applications to Design and Development of High-Performance Molecular Catalysts

Open Date: 2021-04-28

Close Date: 2024-03-31

Grant: Close

Development and Applications of Theoretical Design Methods for Photofunctional Multichromophoric Systems Based on First Principles

Open Date: 2019-04-25

Close Date: 2021-03-31

Articles (9)

Year:

2024

Year:

2023

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2021

Year:

2021

Year:

2020

Collaborators (4)

Masahiro Ehara

教授/Professor

JAPAN

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Koichi Nagata

assistant professor

Tohoku University

JAPAN

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Jun-ya Hasegawa

Hokkaido University

JAPAN

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Hitoshi Ube

Assistant Professor

University of Tokyo

JAPAN

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Takafumi Shiraogawa

Research Interests

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Recent Grants

Articles (9)

Induced chirality at the surface: fixation of a dynamic M/P invertible helical Co3 complex on SiO2

Optimization of General Molecular Properties in the Equilibrium Geometry Using Quantum Alchemy: An Inverse Molecular Design Approach

Exploration of Chemical Space for Designing Functional Molecules Accounting for Geometric Stability

Inverse design of molecule-metal nanoparticle systems interacting with light for desired photophysical properties.

N-Heterocyclic carbene-based C-centered Au(I)-Ag(I) clusters with intense phosphorescence and organelle-selective translocation in cells.

Substrate-Specific Activation and Long-Range Olefin Migration Catalysis at the Pd Centers in a Porous Metal-Macrocycle Framework

Front Cover: Mechanistic Studies on Photoinduced Catalytic Olefin Migration Reactions at the Pd(II) Centers of a Porous Crystal, Metal‐Macrocycle Framework (Chem. Asian J. 3/2021)

Mechanistic Studies on Photoinduced Catalytic Olefin Migration Reactions at the Pd(II) Centers of a Porous Crystal, Metal‐Macrocycle Framework

Theoretical Design of Photofunctional Molecular Aggregates for Optical Properties: An Inverse Design Approach

Collaborators (4)

Masahiro Ehara

Koichi Nagata

Jun-ya Hasegawa

Hitoshi Ube

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