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 (184)：

Kazuki Tabaru, Tetsuaki Fujihara, Kazuyuki Torii, Takeyuki Suzuki, Yuan Jing, Takashi Toyao, Zen Maeno, Ken-ichi Shimizu, Takeshi Watanabe, Hiromitsu Sogawa, et al. Exploring Catalytic Intermediates in Pd-Catalyzed Aerobic Oxidative Amination of 1,3-Dienes: Multiple Metal Interactions of the Palladium Nanoclusters. Journal of the American Chemical Society. 2024
Nazmul Hasan MD Dostagir, Carlo Robert Tomuschat, Kai Oshiro, Min Gao, Jun-ya Hasegawa, Atsushi Fukuoka, Abhijit Shrotri. Mitigating the Poisoning Effect of Formate during CO₂ Hydrogenation to Methanol over Co-Containing Dual-Atom Oxide Catalysts. JACS Au. 2024
Hinoki Hirase, Kenji Iida, Jun-ya Hasegawa. Characterization of changes in the electronic structure of platinum sub-nanoclusters supported on graphene induced by oxygen adsorption. Physical Chemistry Chemical Physics. 2024. 26. 27. 18530-18537
Yue Chen, Ray Miyazaki, Shigeyoshi Sakaki, Jun-ya Hasegawa. A Multiconfigurational Wave Function Theoretical Study on Electronic Structure and Magnetic Susceptibility of Dilanthanide Single Molecule Magnet. The Journal of Physical Chemistry A. 2023. 128. 1. 81-88
Pavee Apilardmongkol, Manussada Ratanasak, Jun-ya Hasegawa, Vudhichai Parasuk. DFT insight into metals and ligands substitution effects on reactivity of phenoxy-imine catalysts for ethylene polymerization. Journal of Molecular Graphics and Modelling. 2023. 125. 108586-108586

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MISC (34)：

Hiromu Kubo, Takashi Hirose, Takuya Nakashima, Tsuyoshi Kawai, Jun-ya Hasegawa, Kenji Matsuda. Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence (vol 12, pg 686, 2021). JOURNAL OF PHYSICAL CHEMISTRY LETTERS. 2021. 12. 4. 1124-1124
前野禅, 安村駿作, りゅう冲, 鳥屋尾隆, 鳥屋尾隆, 今健一, 中山哲, 長谷川淳也, 清水研一, 清水研一. ゼオライト固定化インジウム酸素クラスターの合成とメタン活性化能. 触媒討論会討論会A予稿集(CD-ROM). 2019. 124th
中野環, 木村彰宏, 長谷川淳也, NAGEH Hassan, WANG Yue, 永直文. ビピリジル残基を主鎖に含むポリウレタンおよびポリエステルの合成と高分子配位子としての応用. 高分子学会予稿集(CD-ROM). 2018. 67. 2
HASEGAWA Jun-ya. 触媒計算科学概観:理論計算はいかに活用できるか. Shokubai. 2017. 59. 4. 176-180
長谷川淳也. キャタリストインフォマティクス. 日本化学会情報化学部会誌(Web). 2016. 34. 4. 109-109

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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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