Hasegawa Jun-ya

ハセガワジュンヤ | Hasegawa Jun-ya

Affiliation and department：
Job title： Professor
Homepage URL (1)： https://www.cat.hokudai.ac.jp/hasegawa/

Research field (2)： Computational science , Basic physical chemistry

Research keywords (4)： Catalytic Chemistry , Theoretical chemistry , Quantum chemistry , Computational Chemistry

Research theme for competitive and other funds (15)：

2020 - 2024 Development of Reaction Concepts and Computational Methods for Chemical Reactions under Mechanochemical Stimulations
2015 - 2020 Development and application of computational methods toward controlling the active site of bio-catalysts
2012 - 2015 Molecular Excited States in Proteins and Solutions: A Wave Function Approach and its Extension to Quantum Mechanical Force Field
2010 - 2012 Quantum-Chemical Study on Magnetic Molecular Properties andChemical Reactions in Excited States Based on the RelativisticSAC-CI Theory
2009 - 2011 Development of inter-molecular interaction theory for excited states

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Papers (174)：

Kai Oshiro, Min Gao, Lupeng Han, Dengsong Zhang, Jun-ya Hasegawa. Theoretical Investigation of the Alkali Metal Poisoning Tolerance Mechanism of CeO2-Containing Fe and H2SO4 Additives. The Journal of Physical Chemistry C. 2023
Jiang Deng, Sixiang Cai, Min Gao, Jun-ya Hasegawa, Heyan Yao, Yongjie Shen, Zhiping Si, Jiayu Song, Dengsong Zhang. Crystal-in-Amorphous Vanadate Catalysts for Universal Poison-Resistant Elimination of Nitric Oxide. ACS Catalysis. 2023. 13. 18. 12363-12373
Can Liu, Bang Lu, Hiroko Ariga-Miwa, Shohei Ogura, Takahiro Ozawa, Katsuyuki Fukutani, Min Gao, Jun-ya Hasegawa, Ken-ichi Shimizu, Kiyotaka Asakura, et al. Dynamic Behavior of Intermediate Adsorbates to Control Activity and Product Selectivity in Heterogeneous Catalysis: Methanol Decomposition on Pt/TiO2(110). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2023. 145. 36. 19953-19960
Takafumi Shiraogawa, Jun-ya Hasegawa. Optimization of General Molecular Properties in the Equilibrium Geometry Using Quantum Alchemy: An Inverse Molecular Design Approach. The Journal of Physical Chemistry A. 2023
Min Gao, Jiang Deng, Min Gao, Jun-ya Hasegawa, Xiaoyu Zhang, Aiyong Wang, Aling Chen, Dengsong Zhang. Unravelling the Anomalous Coking Resistance over Boron Nitride-Supported Ni Catalysts for Dry Reforming of Methane. CCS Chemistry. 2022. 1-14

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MISC (33)：

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Lectures and oral presentations (59)：

Exploring the Enantioselective Mechanism of Pd Catalyst with Polyquinoxaline Ligand for Asymmetric Hydrosilylation of Styrene
(2019 National Symposium for Molecular Chirality 2018)
Computational Chemistry with Constraint Force
(A Satellite Symposium to celebrate Prof. Kenichi Fukui's 100th birthday 2018)
複雑系化学反応機構への計算化学アプローチ
(日本化学会東北支部青森地区講演会 2018)
Methane to Ethane Conversion by Liquid Metal Indium: A DFT Mechanistic Study
(2018 International Symposium on Advancement and Prospect of Catalysis Science & Technology 2018)
Theoretical Study on Reaction Mechanisms Involving Intersystem Crossing
(Pure and Applied Chemistry International Conference 2018 (PACCON 2018) 2018)

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Education (2)：

1993 - 1998 Kyoto University Graduate School of Engineering Department of Synthetic Chemistry and Biological Chemistry
1989 - 1993 Kyoto University Faculty of Engineering

Professional career (2)：

Work history (13)：

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Committee career (11)：

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Awards (3)：

Association Membership(s) (4)：

Japan Society of Molecular Science , Chemical Society of Japan , Japan Society of Theoretical Chemistry , Catalysis Society of Japan

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