Isegawa Miho

イセガワミホ | Isegawa Miho

Affiliation and department：
Job title： Researcher

Research field (2)： Inorganic and coordination chemistry , Energy chemistry

Research keywords (1)： Computational Chemistry

Research theme for competitive and other funds (3)：

2026 - 2028 Functional elucidation of nitrogen-doped carbon catalysts and their application to energy materials
2022 - 2025 Ligand design of molecular electrocatalysts for CO2 reduction at low applied potential: application to MOFs
2018 - 2022 3d遷移金属光触媒による高効率CO2還元を目指した反応機構解明と設計指針の提案

Papers (31)：

Miho Isegawa. Electrochemical CO2 reduction by Mn-mesbpy complex: Tuning redox properties and mechanistic switching via ligand substitution. Journal of Catalysis. 2025. 450. 116290-116290
Guoping Chen, Miho Isegawa, Taro Koide, Yasuo Yoshida, Koji Harano, kenji Hayashida, Shusaku Fujita, Kotaro Takeyasu, Katsuhiko Ariga, Junji Nakamura. Pentagon-Rich Caged Carbon Catalyst for the Oxygen Reduction Reaction in Acidic Electrolytes. Angewandte Chemie International Edition. 2024
Miho Isegawa. Metal- and ligand-substitution-induced changes in the kinetics and thermodynamics of hydrogen activation and hydricity in a dinuclear metal complex. Dalton Transactions. 2024. 53. 5966-5978
Miho Isegawa. Chemical modification of dimethylpolysiloxane for enhancement of CO₂ binding enthalpy. Physical Chemistry Chemical Physics. 2023. 25. 7881-7892
Miho Isegawa. Group 6 (Cr, Mo, W) and Group 7 (Mn, Re) bipyridyl tetracarbonyl complex for electrochemical CO2 conversion: DFT and DLPNO-CCSD(T) study for effects of the central metal on redox potential, thermodynamics, and kinetics. Chemical Physics. 2023. 565. 111758-111758

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MISC (1)：

Lectures and oral presentations (31)：

Uncovering Residue Contributions Along the Reaction Coordinate in Phosphotriesterase Catalysis via RWFE-QM/MM Free-Energy Decomposition
(2026)
Reaction-Coordinate-Dependent Enzyme Dynamics During Catalysis of Paraoxon Hydrolysis by Phosphotriesterase
(2025)
高精度HAT反応障壁予測: DLPNO-CCSD(T) 反応エネルギーとスピン密度を特徴量とした決定木ML
(日本コンピューター化学会, 岐阜 2025)
Elucidating the Determinants of Catalytic Efficiency in Wild-Type and Engineered Phosphotriesterases
(2025)
グラフェン量子ドットにおけるスピン密度とO2吸着の相関
(凝縮系の理論化学那覇 2025)

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Education (1)：

Professional career (1)：

Work history (8)：

2024/10 - 現在 Kyoto University
2022/05 - 2024/09 Kyushu University International Institute for Carbon-Neutral Energy Research Assistant Professor
2020/04 - 2022/04 Kyushu University International Institute for Carbon-Neutral Energy Research Researcher
2018/02 - 2020/03 Kyushu University International Institute for Carbon-Neutral Energy Research Assistant Professor
2016/01 - 2018/01 Kyoto University Fukui Institute for Fundamental Chemistry Researcher

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Association Membership(s) (1)：

日本化学会

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