Hori Yuta 堀優太

Researcher Number	40806915
Other IDs
Affiliation (Current)	2025: 金沢大学, 融合科学系, 准教授
Affiliation (based on the past Project Information) *help	2024: 筑波大学, 計算科学研究センター, 助教 2019 – 2022: 筑波大学, 計算科学研究センター, 助教 2017 – 2018: 九州大学, 先導物質化学研究所, 学術研究員
Review Section/Research Field	Principal Investigator Basic Section 17010:Space and planetary sciences-related / Science and Engineering / Transformative Research Areas, Section (II) / Basic Section 32020:Functional solid state chemistry-related / Physical chemistry
Keywords	Principal Investigator 量子化学計算 / 星間物質 / アミノ酸 / ホモキラリティー / 円偏光 / QM/MM計算 / 水素輸送 / 水素活性化 / ハイドロジェノミクス / [NiFe]ヒロドゲナーゼ … More / 水素・電子カップリング / 構造解析 / 反応解析 / 電子状態計算 / NiFeヒドロゲナーゼ / 生体ハイドロジェノミクス / ラセミ化 / 酸化プロピレン / 理論計算 / ポテンシャルエネルギー / プロトン移動 / コハク酸 / PVPA / イミダゾール / 分子運動 / 分子動力学計算 / プロトン伝導機構 / プロトン共役電子移動反応 / 金属オキソ錯体 / 分子間プロトン移動 / 量子ダイナミクス / 透熱ポテンシャル / プロトン共役電子移動 Less

Amino acid homochirality formation mechanism based on elementary processes in gas and solid phasesPrincipal Investigator
- Principal Investigator
  
  堀優太
- Project Period (FY)
  2024 – 2026
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 17010:Space and planetary sciences-related
- Research Institution
  University of Tsukuba
Quantum Chemical Exploration of the Formation Process of Homochiral Amino Acids in Outer SpacePrincipal Investigator
- Principal Investigator
  
  堀優太
- Project Period (FY)
  2021 – 2022
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  University of Tsukuba
Theoretical development of biohydrogenomics based on hydrogen activation and transportPrincipal Investigator
- Principal Investigator
  
  堀優太
- Project Period (FY)
  2021 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  University of Tsukuba
Elucidation of proton conduction mechanism in acid-base complexes investigated by theoretical calculationsPrincipal Investigator
- Principal Investigator
  
  Hori Yuta
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 32020:Functional solid state chemistry-related
- Research Institution
  University of Tsukuba
Development of theoretical analysis method for proton coupled electron transfer reactionPrincipal Investigator
- Principal Investigator
  
  Hori Yuta
- Project Period (FY)
  2017 – 2018
- Research Category
  
  Grant-in-Aid for Research Activity Start-up
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University

All 2023 2022 2021 2020 2019 2018 2017

All Journal Article Presentation

[Journal Article] Characterization of the Geometrical and Electronic Structures of the Active Site and Its Effects on the Surrounding Environment in Reduced High-Potential Iron?Sulfur Proteins Investigated by the Density Functional Theory Approach2023
- Author(s)
  Sato Ayaka、Hori Yuta、Shigeta Yasuteru
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 62 Issue: 5 Pages: 2040-2048
- DOI
  10.1021/acs.inorgchem.2c03617
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21H00014, KAKENHI-PUBLICLY-22H04800
[Journal Article] Theoretical Investigation of Racemization of Amino Acid using Organic Catalysts2022
- Author(s)
  WATANABE Natsuki、SHOJI Mitsuo、HORI Yuta、SHIGETA Yasuteru
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 21 Issue: 4 Pages: 80-81
- DOI
  10.2477/jccj.2023-0004
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-21H05419, KAKENHI-PUBLICLY-21H00014
[Journal Article] Comprehensive Search of Stable Isomers of Alanine and Alanine Precursors in Prebiotic Syntheses2022
- Author(s)
  Shoji Mitsuo、Watanabe Natsuki、Hori Yuta、Furuya Kenji、Umemura Masayuki、Boero Mauro、Shigeta Yasuteru
- Journal Title
  
  Astrobiology
  
  Volume: 22 Issue: 9 Pages: 1129-1142
- DOI
  10.1089/ast.2022.0011
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22H04916, KAKENHI-PUBLICLY-21H05419, KAKENHI-PROJECT-19H00697, KAKENHI-PLANNED-20H05453
[Journal Article] Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space2022
- Author(s)
  Hori Yuta、Nakamura Honami、Sakawa Takahide、Watanabe Natsuki、Kayanuma Megumi、Shoji Mitsuo、Umemura Masayuki、Shigeta Yasuteru
- Journal Title
  
  Astrobiology
  
  Volume: 22 Issue: 11 Pages: 1330-1336
- DOI
  10.1089/ast.2022.0005
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-21H05419, KAKENHI-PROJECT-19H00697
[Journal Article] Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory2022
- Author(s)
  HORI Yuta、SATO Ayaka、SHIGETA Yasuteru
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 21 Issue: 4 Pages: 77-79
- DOI
  10.2477/jccj.2023-0008
- ISSN
  1347-1767, 1347-3824
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Journal Article] Effects of mechanical grinding on the phase behavior and anhydrous proton conductivity of imidazolium hydrogen succinate2021
- Author(s)
  Dekura Shun、Sunairi Yoshiya、Okamoto Kei、Takeiri Fumitaka、Kobayashi Genki、Hori Yuta、Shigeta Yasuteru、Mori Hatsumi
- Journal Title
  
  Solid State Ionics
  
  Volume: 372 Pages: 115775-115782
- DOI
  10.1016/j.ssi.2021.115775
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-20K15240, KAKENHI-PROJECT-20H02828, KAKENHI-PROJECT-21K18597, KAKENHI-PROJECT-18H05225, KAKENHI-PLANNED-18H05516, KAKENHI-PUBLICLY-21H00014
[Journal Article] Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics2021
- Author(s)
  Hori Yuta、Dekura Shun、Sunairi Yoshiya、Ida Tomonori、Mizuno Motohiro、Mori Hatsumi、Shigeta Yasuteru
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 12 Issue: 22 Pages: 5390-5394
- DOI
  10.1021/acs.jpclett.1c01280
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-20K15240, KAKENHI-PROJECT-19H02554, KAKENHI-PROJECT-19K05371, KAKENHI-PROJECT-21K18597, KAKENHI-PROJECT-18H05225, KAKENHI-PLANNED-18H05516, KAKENHI-PUBLICLY-21H00014
[Journal Article] Molecular Motions of Imidazole in Poly(vinylphosphonic acid)-Imidazole Composites Investigated by Molecular Dynamics Simulations2021
- Author(s)
  Hori Yuta、Suetake Toshiya、Shigeta Yasuteru、Ida Tomonori、Mizuno Motohiro
- Journal Title
  
  Chemistry Letters
  
  Volume: 50 Issue: 1 Pages: 17-20
- DOI
  10.1246/cl.200635
- NAID
  130007965988
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15524, KAKENHI-PUBLICLY-19H05047, KAKENHI-PROJECT-19H02554, KAKENHI-PROJECT-19K05371
[Journal Article] Local Structures and Dynamics of Imidazole Molecules in Poly(vinylphosphonic acid)?Imidazole Composite Investigated by Molecular Dynamics2020
- Author(s)
  Hori Yuta、Suetake Toshiya、Shiota Yoshihito、Yoshizawa Kazunari、Shigeta Yasuteru、Ida Tomonori、Mizuno Motohiro
- Journal Title
  
  ACS Applied Polymer Materials
  
  Volume: 2 Issue: 4 Pages: 1561-1568
- DOI
  10.1021/acsapm.9b01222
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15524, KAKENHI-PUBLICLY-19H05047, KAKENHI-PROJECT-19H02554, KAKENHI-PROJECT-19K05371
[Journal Article] Three‐Step Spin State Transition and Hysteretic Proton Transfer in the Crystal of an Iron(II) Hydrazone Complex2020
- Author(s)
  Nakanishi Takumi、Hori Yuta、Wu Shuqi、Sato Hiroyasu、Okazawa Atsushi、Kojima Norimichi、Horie Yusuke、Okajima Hajime、Sakamoto Akira、Shiota Yoshihito、Yoshizawa Kazunari、Sato Osamu
- Journal Title
  
  Angewandte Chemie International Edition
  
  Volume: 59 Issue: 35 Pages: 14781-14787
- DOI
  10.1002/anie.202006763
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K05761, KAKENHI-PROJECT-20K05421, KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-20K15247, KAKENHI-PROJECT-18K05057
[Journal Article] Proton Conduction Mechanism in Proton-Conducting PVPA-<i>x</i>Im Composites Investigated by Theoretical Approaches2020
- Author(s)
  HORI Yuta、SUETAKE Toshiya、IDA Tomonori、MIZUNO Motohiro、SHIGETA Yasuteru
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 19 Issue: 4 Pages: 131-132
- DOI
  10.2477/jccj.2020-0028
- NAID
  130008009669
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15524, KAKENHI-PUBLICLY-19H05047, KAKENHI-PROJECT-19H02554
[Journal Article] Local structures and electronic properties of In atoms in In-doped ZnO2019
- Author(s)
  Hori Yuta、Shiota Yoshihito、Ida Tomonori、Yoshizawa Kazunari、Mizuno Motohiro
- Journal Title
  
  Thin Solid Films
  
  Volume: 685 Pages: 428-433
- DOI
  10.1016/j.tsf.2019.05.047
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05371, KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-16K05725
[Journal Article] Revisiting Formic Acid Decomposition by a Graph-Theoretical Approach2019
- Author(s)
  Ida Tomonori、Nishida Manami、Hori Yuta
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 123 Issue: 44 Pages: 9579-9586
- DOI
  10.1021/acs.jpca.9b05994
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05371, KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-18J20709
[Journal Article] Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex2019
- Author(s)
  Nakanishi Takumi、Hori Yuta、Sato Hiroyasu、Wu Shu-Qi、Okazawa Atsushi、Kojima Norimichi、Yamamoto Takashi、Einaga Yasuaki、Hayami Shinya、Horie Yusuke、Okajima Hajime、Sakamoto Akira、Shiota Yoshihito、Yoshizawa Kazunari、Sato Osamu
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 141 Issue: 36 Pages: 14384-14393
- DOI
  10.1021/jacs.9b07204
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05761, KAKENHI-PROJECT-18K04710, KAKENHI-PROJECT-18K05057, KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-17H01200, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-17H01197
[Journal Article] Redox behaviour of the β-dihydroporphycene cobalt complex: study on the effect of hydrogenation of the ligand2019
- Author(s)
  Hashimoto Koichi, Koide Taro, Okawara Toru, Shimakoshi Hisashi, Hori Yuta, Shiota Yoshihito, Yoshizawa Kazunari, Hisaeda Yoshio
- Journal Title
  
  Dalton Transactions
  
  Volume: 48 Issue: 3 Pages: 872-881
- DOI
  10.1039/c8dt03743d
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H04119, KAKENHI-PROJECT-17H06928, KAKENHI-PUBLICLY-18H04265, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-16K05725
[Journal Article] Mechanistic Insights into Methane Oxidation by Molecular Oxygen under Photoirradiation: Controlled Radical Chain Reactions2019
- Author(s)
  Hori Yuta、Abe Tsukasa、Shiota Yoshihito、Yoshizawa Kazunari
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 92 Issue: 11 Pages: 1840-1846
- DOI
  10.1246/bcsj.20190171
- NAID
  130007745895
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-16K05725
[Journal Article] Cupric-superoxide complex that induces a catalytic aldol reaction-type C-C bond formation2019
- Author(s)
  T. Abe, Y. Hori, Y. Shiota, T. Ohta, Y. Morimoto, H. Sugimoto, T. Ogura, K. Yoshizawa, and S. Itoh
- Journal Title
  
  Communications Chemistry
  
  Volume: 2 Issue: 1 Pages: 1-7
- DOI
  10.1038/s42004-019-0115-6
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K05850, KAKENHI-PROJECT-17H03031, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-17H06928, KAKENHI-PROJECT-16K13963, KAKENHI-PROJECT-16K17878, KAKENHI-PROJECT-19K15587, KAKENHI-PROJECT-16K05725
[Journal Article] Role of Amino Acid Residues for Dioxygen Activation in the Second Coordination Sphere of the Dicopper Site of pMMO2019
- Author(s)
  Miyanishi Mayuko、Abe Tsukasa、Hori Yuta、Shiota Yoshihito、Yoshizawa Kazunari
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 58 Issue: 18 Pages: 12280-12288
- DOI
  10.1021/acs.inorgchem.9b01752
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15524, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-16K05725
[Journal Article] Local Structure and Hydrogen Bond Characteristics of Imidazole Molecules for Proton Conduction in Acid and Base Proton-Conducting Composite Materials2018
- Author(s)
  Hori Yuta、Chikai Takuma、Ida Tomonori、Mizuno Motohiro
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 15 Pages: 10311-10318
- DOI
  10.1039/c7cp08396c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05647, KAKENHI-PROJECT-17H06928
[Journal Article] Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity2018
- Author(s)
  Maurya Yogesh Kumar、Noda Katsuya、Yamasumi Kazuhisa、Mori Shigeki、Uchiyama Tomoki、Kamitani Kazutaka、Hirai Tomoyasu、Ninomiya Kakeru、Nishibori Maiko、Hori Yuta、Shiota Yoshihito、Yoshizawa Kazunari、Ishida Masatoshi、Furuta Hiroyuki
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 140 Issue: 22 Pages: 6883-6892
- DOI
  10.1021/jacs.8b01876
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05725, KAKENHI-PROJECT-18K05086, KAKENHI-PUBLICLY-17H05377, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-17H06928, KAKENHI-PROJECT-16K05700
[Journal Article] Construction of a Potential Energy Surface Based on a Diabatic Model for Proton Transfer in Molecular Pairs2018
- Author(s)
  Hori Yuta、Ida Tomonori、Mizuno Motohiro
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 31 Pages: 179-192
- DOI
  10.1007/978-3-319-74582-4_9
- ISBN
  9783319745817, 9783319745824
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H06928
[Journal Article] A novel approach to Bohmian mechanics using an uncompressed particle method2018
- Author(s)
  Sugisawa Hiroki、Hori Yuta、Ida Tomonori、Mizuno Motohiro
- Journal Title
  
  Physica E: Low-dimensional Systems and Nanostructures
  
  Volume: 104 Pages: 320-326
- DOI
  10.1016/j.physe.2018.08.007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H06928, KAKENHI-PROJECT-16K05647
[Journal Article] Potential energy construction in the diabatic picture for quantum mechanical rate constants of intermolecular proton transfer2017
- Author(s)
  Hori Yuta、Ida Tomonori、Mizuno Motohiro
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 19 Issue: 25 Pages: 16857-16866
- DOI
  10.1039/c7cp03024j
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05647, KAKENHI-PROJECT-17H06928
[Journal Article] Catalytic Performance of a Dicopper-Oxo Complex for Methane Hydroxylation2017
- Author(s)
  Hori Yuta、Shiota Yoshihito、Tsuji Tomokazu、Kodera Masahito、Yoshizawa Kazunari
- Journal Title
  
  Inorg. Chem.
  
  Volume: 57 Issue: 1 Pages: 8-11
- DOI
  10.1021/acs.inorgchem.7b02563
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K05725, KAKENHI-PROJECT-17H03117, KAKENHI-PROJECT-17H06928
[Journal Article] Optimization of the spin-component-scaled factor for electron propagator method2017
- Author(s)
  Lim Fang-Han、Nishida Manami、Hori Yuta、Ida Tomonori、Mizuno Motohiro
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 678 Pages: 159-166
- DOI
  10.1016/j.cplett.2017.04.044
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K05647, KAKENHI-PROJECT-17H06928
[Presentation] 第一原理計算によるコハク酸イミダゾリウム結晶中のプロトン伝導異方性の解析2023
- Author(s)
  堀優太、重田育照
- Organizer
  日本化学会第103春季年会(2023)
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Computational Chemical Approaches to the Microscopic Mechanism of Anhydrous Proton Conduction Materials2023
- Author(s)
  Yuta Hori
- Organizer
  Asia Pacific Conference of Theoretical and Computational Chemistry APATCC-10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 酸化プロピレンホモキラリティー発生の理論的予測2022
- Author(s)
  堀優太
- Organizer
  計算アストロバイオロジー2022
- Data Source
  KAKENHI-PUBLICLY-21H05419
[Presentation] 高電位鉄硫黄タンパク質の鉄硫黄クラスター周辺の構造と電子状態についての理論的解析2022
- Author(s)
  佐藤綾香、堀優太、重田育照
- Organizer
  量子生命科学会第4回大会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Theoretical characterization of the active site and its formation pathway in oxidized [NiFe]-hydrogenase2022
- Author(s)
  堀優太、重田育照
- Organizer
  第60回日本生物物理学会年会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] アミノ酸ホモキラリティ起源を紐解く結晶形成過程についての量子化学研究2022
- Author(s)
  渡辺七都稀、庄司光男、堀優太、重田育照
- Organizer
  量子生命科学会第4回大会
- Data Source
  KAKENHI-PUBLICLY-21H05419
[Presentation] 高電位鉄硫黄タンパク質の電子状態と周辺アミノ酸からの影響2022
- Author(s)
  堀優太、佐藤綾香、重田育照
- Organizer
  日本コンピュータ化学会2022年秋季年会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 高電位鉄硫黄タンパク質の鉄硫黄クラスターの電子状態と周囲のアミノ酸からの影響の理論解析2022
- Author(s)
  佐藤綾香、堀優太、重田育照
- Organizer
  第16回分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Chiral symmetry breaking for amino acid homochirality by dimerization2022
- Author(s)
  Natsuki Watanabe, Mitsuo Shoji, Yuta Hori, Yasuteru Shigeta
- Organizer
  Symposium on Next Generation Astrochemistry 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05419
[Presentation] 理論計算による生体内水素機能メカニズムの解明2022
- Author(s)
  堀優太、重田育照
- Organizer
  第32回日本MRS年次大会
- Invited
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 量子化学計算によるコハク酸イミダゾリウム結晶中のプロトン伝導機構解析2022
- Author(s)
  堀優太、出倉駿、井田朋智、水野元博、森初果、重田育照
- Organizer
  日本化学会第102春季年会 (2022)
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Hydrogen bond structures and dynamics in proton-conducting imidazolium hydrogen succinate2022
- Author(s)
  Yuta Hori, Shun Dekura, Hatsumi Mori, Yasuteru Shigeta
- Organizer
  24th International Conference On Horizons In Hydrogen Bond Research (HBond2022)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 量子化学計算によるコハク酸イミダゾリウム結晶中のプロトン伝導機構解析2022
- Author(s)
  堀優太、出倉駿、井田朋智、水野元博、森初果、重田育照
- Organizer
  日本化学会第102春季年会 (2022)
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] Theoretical Study on the Active Site in Oxidized [NiFe]-Hydrogenase2022
- Author(s)
  Yuta Hori, Yasuteru Shigeta
- Organizer
  2nd International Symposium “Hydrogenomics”
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Computational Approach to the Mechanism of Proton Conduction Materials2022
- Author(s)
  Hori Yuta
- Organizer
  2022 CCS-EPCC Workshop
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] 水素機能性物質・タンパク質のための計算化学によるアプローチ2022
- Author(s)
  堀優太
- Organizer
  ハイドロジェノミクス第9回若手育成スクール
- Invited
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 高電位鉄硫黄タンパク質の活性中心の構造と電子状態についての理論的解析2022
- Author(s)
  佐藤綾香、堀優太、重田育照
- Organizer
  日本化学会第102春季年会(2022)
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Theoretical prediction into a possibility of the formation of propylene oxide homochirality2022
- Author(s)
  Yuta Hori, Natsuki Watanabe, Mitsuo Shoji, Yasuteru Shigeta
- Organizer
  Symposium on Next Generation Astrochemistry 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05419
[Presentation] 高電位鉄硫黄タンパク質の[4Fe-4S]活性中心の構造と電子状態についての理論的解析2022
- Author(s)
  堀優太、佐藤綾香、重田育照
- Organizer
  第22回日本蛋白質科学会年会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 有機分子触媒を用いたアミノ酸ラセミ化反応の理論的研究2022
- Author(s)
  渡辺七都稀、庄司光男、堀優太、重田育照
- Organizer
  日本コンピュータ化学会2022年秋季年会
- Data Source
  KAKENHI-PUBLICLY-21H05419
[Presentation] 酸化型[NiFe]ヒドロゲナーゼの生成過程と活性中心の構造についての理論的研究2022
- Author(s)
  堀優太、重田育照
- Organizer
  第24回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 結晶成長によるアミノ酸キラル増幅に関する理論的研究2021
- Author(s)
  渡辺七都稀、庄司光男、堀優太、重田育照
- Organizer
  日本コンピュータ化学会2021年秋季年会
- Data Source
  KAKENHI-PUBLICLY-21H05419
[Presentation] Photo- and Thermally-induced Proton Transfer Coupled Spin Transition in Iron(II) Hydrazone Complexes2021
- Author(s)
  Nakanishi Takumi、Hori Yuta、Shiota Yoshihito Yoshizawa Kazunari、Sato Osamu
- Organizer
  The Material Research Meeting 2021 (MRM 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] Structural Transition Involving Molecular Dynamics and Anhydrous Proton Conductivity in ImidazoliumHydrogen Dicarboxylates2021
- Author(s)
  Dekura Shun、Sunairi Yoshiya、Okamoto Kei、Takeiri Fumitaka、Kobayashi Genki、Hori Yuta、Shigeta Yasuteru、Mori Hatsumi
- Organizer
  The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] Local structures and molecular dynamics in the anhydrous proton-conducting PVPA-Im composite2021
- Author(s)
  Hori Yuta、Suetake Toshiya、Ida Tomonori、Mizuno Motohiro、Shigeta Yasuteru
- Organizer
  The Material Research Meeting 2021 (MRM 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] Local structures and molecular dynamics in the anhydrous proton-conducting PVPA-Im composite2021
- Author(s)
  Hori Yuta、Suetake Toshiya、Ida Tomonori、Mizuno Motohiro、Shigeta Yasuteru
- Organizer
  The Material Research Meeting 2021 (MRM 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] プロトン結合スピン転移錯体における熱誘起三状態変換2021
- Author(s)
  中西匠、堀優太、塩田淑仁、吉澤一成、佐藤治
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Local structures and molecular dynamics in the proton-conducting imidazolium hydrogen succinate2021
- Author(s)
  Hori Yuta、Dekura Shun、Ida Tomonori、Mizuno Motohiro、Mori Hatsumi、Shigeta Yasuteru
- Organizer
  The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] 量子化学計算による有機結晶中のプロトン伝導機構の理論解析2021
- Author(s)
  堀優太、出倉駿、井田朋智、水野元博、森初果、重田育照
- Organizer
  第15回物性科学領域横断研究会 (領域合同研究会)
- Invited
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Structural Transition Involving Molecular Dynamics and Anhydrous Proton Conductivity in Imidazolium Hydrogen Dicarboxylates2021
- Author(s)
  Dekura Shun、Sunairi Yoshiya、Okamoto Kei、Takeiri Fumitaka、Kobayashi Genki、Hori Yuta、Shigeta Yasuteru、Mori Hatsumi
- Organizer
  The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Photo- and Thermally-induced Proton Transfer Coupled Spin Transition in Iron(II) Hydrazone Complexes2021
- Author(s)
  Nakanishi Takumi、Hori Yuta、Shiota Yoshihito、Yoshizawa Kazunari、Sato Osamu
- Organizer
  The Material Research Meeting 2021 (MRM 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 酸化型[NiFe]ヒドロゲナーゼ活性中心の電子状態計算2021
- Author(s)
  堀優太、石川航平、庄司光男、重田育照
- Organizer
  量子生命科学会第3回大会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] Local structures and molecular dynamics in the proton-conducting imidazolium hydrogen succinate2021
- Author(s)
  Hori Yuta、Dekura Shun、Ida Tomonori、Mizuno Motohiro、Mori Hatsumi、Shigeta Yasuteru
- Organizer
  The 2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] 量子化学計算による有機結晶中のプロトン伝導機構の理論解析2021
- Author(s)
  堀優太、出倉駿、井田朋智、水野元博、森初果、重田育照
- Organizer
  第15回物性科学領域横断研究会 (領域合同研究会)
- Invited
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] コハク酸イミダゾリウム結晶中のプロトン伝導機構の理論的解析2021
- Author(s)
  堀優太、出倉駿、井田朋智、水野元博、森初果、重田育照
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-21H00014
[Presentation] コハク酸イミダゾリウム結晶中のプロトン伝導機構の理論的解析2021
- Author(s)
  堀優太、出倉駿、井田朋智、水野元博、森初果、重田育照
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] プロトン結合スピン転移錯体における熱誘起三状態変換2021
- Author(s)
  中西匠、堀優太、塩田淑仁、吉澤一成、佐藤治
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] 隕石中でのアミノ酸キラル増幅機構についての理論的研究2021
- Author(s)
  渡辺七都稀、庄司光男、堀優太、重田育照
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-21H05419
[Presentation] 分子動力学計算によるプロトン伝導性PVPA-xIm複合体の局所構造と分子ダイナミクス2021
- Author(s)
  堀優太、末武鋭也、井田朋智、水野元博、重田育照
- Organizer
  日本化学会第101春季年会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] 酸化型[NiFe]ヒドロゲナーゼの活性中心についての理論的研究2020
- Author(s)
  堀優太、石川航平、庄司光男、重田育照
- Organizer
  量子生命科学会第二回大会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] プロトン伝導性PVPA-xIm複合体の分子ダイナミクス2020
- Author(s)
  堀優太、末武鋭也、井田朋智、水野元博、重田育照
- Organizer
  日本コンピュータ化学会2020年秋季年会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] 銅-酸素錯体によるカルボニル化合物の触媒的C-C結合形成反応の機構解析2019
- Author(s)
  堀優太、阿部司、塩田淑仁、重田育照、伊東忍、吉澤一成
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] ギ酸分解の化学反応ネットワーク2019
- Author(s)
  井田朋智、西田愛美、堀優太
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] 分子動力学法を用いた有機酸複合体中イミダゾールの分子運動解析2019
- Author(s)
  末武鋭也、杉澤宏樹、堀優太、井田朋智、水野元博
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] イミダゾールを含む酸塩基複合体中の水素結合構造と分子運動性の理論的解析およびプロトン伝導機構の考察2019
- Author(s)
  堀優太、末武鋭也、井田朋智、水野元博、重田育照
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] イリジウム錯体のH-H結合開裂とO-O結合形成に関する理論的研究2019
- Author(s)
  池田京、堀優太、塩田淑仁、M. Haris Mahyuddin、Staykov Aleksandar、松本崇弘、吉澤一成、小江誠司
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] Theoretical Study of Local Structures and Molecular Motions in the Proton-Conduction Composite Material2019
- Author(s)
  Yuta Hori、Toshiya Suetake、Tomonori Ida、Motohiro Mizuno、Yasuteru Shigeta
- Organizer
  2nd International Symposium on Hydrogen Energy and Energy Technologies
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K15524
[Presentation] 銅２核錯体によるC-H結合活性化に関する理論的研究2018
- Author(s)
  塩田淑仁、堀優太、小寺政人、吉澤一成
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] 二種の銅オキソ活性種によるメタン活性化過程の理論的研究2018
- Author(s)
  堀優太、塩田淑仁、小寺政人、吉澤一成
- Organizer
  第51回酸化反応討論会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] イリジウム錯体による水素分子酸化反応の理論的研究2018
- Author(s)
  池田京、堀優太、塩田淑仁、M. Haris Mahyuddin、Staykov Aleksandar、松本崇弘、吉澤一成、小江誠司
- Organizer
  日本化学会第99春季年会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] イリジウム錯体による水分子酸化反応の理論的研究2018
- Author(s)
  池田京、堀優太、塩田淑仁、M. Haris Mahyuddin、Staykov Aleksandar、松本崇弘、吉澤一成、小江誠司
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] 単核銅モノオキシゲナーゼに含まれる酸化活性種に関するモデル化学的検討2018
- Author(s)
  伊東忍、阿部司、堀優太、塩田淑仁、森本祐麻、杉本秀樹、吉澤一成
- Organizer
  第12回バイオ関連化学シンポジウム
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] イリジウム錯体によるO-O結合形成に関する理論的研究2018
- Author(s)
  池田京、堀優太、塩田淑仁、M. Haris Mahyuddin、Staykov Aleksandar、松本崇弘、吉澤一成、小江誠司
- Organizer
  第51回酸化反応討論会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] Theoretical study for methane oxidation by dicopper complex2018
- Author(s)
  Yuta Hori, Yoshihito Shiota, Masahito Kodera, Kazunari Yoshizawa
- Organizer
  16th International Congress of Quantum Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] 銅二核錯体による酸素活性種とC-H結合活性化過程に関する反応機構解析2018
- Author(s)
  堀優太、塩田淑仁、辻朋和、小寺政人、吉澤一成
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] Catalytic Performance of a Dicopper-Oxo Complex for Methane Hydroxylation2018
- Author(s)
  Yuta Hori, Yoshihito Shiota, Tomokazu Tsuji, Masahito Kodera, Kazunari Yoshizawa
- Organizer
  The 8th Tokyo Conference on Advanced Catalytic Science and Technology
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] メタン水酸化における銅二核オキソ錯体による触媒性能に関する理論的予測2018
- Author(s)
  堀優太、塩田淑仁、吉澤一成
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] 量子ポアソン方程式を用いた量子動力学シミュレーション2017
- Author(s)
  杉澤宏樹、堀優太、井田朋智、水野元博
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] イミダゾールと酸性高分子中の水素結合構造と運動性2017
- Author(s)
  堀優太、塩田淑仁、吉澤一成
- Organizer
  第31回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] イミダゾールを含む酸塩基複合体中の水素結合構造とプロトン伝導性の理論的解析2017
- Author(s)
  堀優太、近井琢磨、塩田淑仁、吉澤一成、井田朋智、水野元博
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H06928
[Presentation] 拡張型スピン成分補正近似を用いた電子伝播関数の妥当性2017
- Author(s)
  林方漢、西田愛美、堀優太、井田朋智、水野元博
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H06928

1. Koide Taro

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
2. SHIOTA Yoshihito

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
3. OHOTA Takehiro

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
4. 井田朋智

# of Collaborated Projects: 0 results

# of Collaborated Products: 5 results
5. 坂本章

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
6. 久枝良雄

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
7. 庄司光男

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Hori Yuta 堀 優太

Research Projects

Research Products

Co-Researchers

Amino acid homochirality formation mechanism based on elementary processes in gas and solid phasesPrincipal Investigator

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Quantum Chemical Exploration of the Formation Process of Homochiral Amino Acids in Outer SpacePrincipal Investigator

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Theoretical development of biohydrogenomics based on hydrogen activation and transportPrincipal Investigator

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Elucidation of proton conduction mechanism in acid-base complexes investigated by theoretical calculationsPrincipal Investigator

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Development of theoretical analysis method for proton coupled electron transfer reactionPrincipal Investigator

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[Journal Article] Characterization of the Geometrical and Electronic Structures of the Active Site and Its Effects on the Surrounding Environment in Reduced High-Potential Iron?Sulfur Proteins Investigated by the Density Functional Theory Approach2023

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[Journal Article] Theoretical Investigation of Racemization of Amino Acid using Organic Catalysts2022

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[Journal Article] Comprehensive Search of Stable Isomers of Alanine and Alanine Precursors in Prebiotic Syntheses2022

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[Journal Article] Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space2022

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[Journal Article] Theoretical Characterization of the Electronic and Spin Structures for Iron–Sulfur Cubane in Reduced High-Potential Iron–Sulfur Proteins Using Density Functional Theory2022

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[Journal Article] Effects of mechanical grinding on the phase behavior and anhydrous proton conductivity of imidazolium hydrogen succinate2021

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[Journal Article] Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics2021

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[Journal Article] Molecular Motions of Imidazole in Poly(vinylphosphonic acid)-Imidazole Composites Investigated by Molecular Dynamics Simulations2021

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[Journal Article] Local Structures and Dynamics of Imidazole Molecules in Poly(vinylphosphonic acid)?Imidazole Composite Investigated by Molecular Dynamics2020

Hori Yuta 堀優太