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堀 優太 / Hori, Yuta

計算科学研究センター 助教 / Assistant Professor, Center for Computational Sciences

関連記事 / Related Articles in COTRE

有機固体電解質中のプロトン伝導メカニズムを解明〜高効率な燃料電池の設計指針に〜
Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex
タンパク質の構造変化と生命機能の関係の解明 | 重田 育照 | 筑波大学研究者カタログ

 

論文 / Publication

  1. プロトン伝導性PVPA-xIm複合体のプロトン伝導機構の理論的解明 Hori, Yuta, Suetake, Toshiya, Ida, Tomonori, Mizuno, Motohiro, Shigeta, Yasuteru The Journal of Computer Chemistry, Japan (2021)
  2. Molecular Motions of Imidazole in Poly(vinylphosphonic acid)-imidazole Composites Investigated by Molecular Dynamics Simulations Hori, Yuta, Suetake, Toshiya, Shigeta, Yasuteru, Ida, Tomonori, Mizuno, Motohiro Chemistry Letters 50 (1) 17 - 20 (2020)
  3. Three-step Spin State Transition and Hysteretic Proton Transfer in the Crystal of an Iron(II) Hydrazone Complex Nakanishi, Takumi, Hori, Yuta, Wu, Shuqi, Sato, Hiroyasu, Okazawa, Atsushi, Kojima, Norimichi, Horie, Yusuke, Okajima, Hajime, Sakamoto, Akira, Shiota, Yoshihito, Yoshizawa, Kazunari, Osamu, Sato Angewandte Chemie International Edition 59 (35) 14781 - 14787 (2020)
  4. Local Structures and Dynamics of Imidazole Molecules in Poly(vinylphosphonic acid)–Imidazole Composite Investigated by Molecular Dynamics Hori, Yuta, Suetake, Toshiya, Shiota, Yoshihito, Yoshizawa, Kazunari, Shigeta, Yasuteru, Ida, Tomonori, Mizuno, Motohiro ACS Applied Polymer Materials 2 (4) 1561 - 1568 (2020)
  5. Revisiting Formic Acid Decomposition by a Graph-Theoretical Approach Ida, Tomonori, Nishida, Manami, Hori, Yuta The Journal of Physical Chemistry A 123 (44) 9579 - 9586 (2019)
  6. Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex. Takumi Nakanishi, Yuta Hori, Hiroyasu Sato, Shu-Qi Wu, Atsushi Okazawa, Norimichi Kojima, Takashi Yamamoto, Yasuaki Einaga, Shinya Hayami, Yusuke Horie, Hajime Okajima, Akira Sakamoto, Yoshihito Shiota, Kazunari Yoshizawa, Osamu Sato 141 (36) 14384 - 14393 (2019)
  7. Mechanistic Insights into Methane Oxidation by Molecular Oxygen under Photoirradiation: Controlled Radical Chain Reactions Hori, Yuta, Abe, Tsukasa, Shiota, Yoshihito, Yoshizawa, Kazunari Bulletin of the Chemical Society of Japan 92 (11) 1840 - 1846 (2019)
  8. Role of Amino-Acid Residues for Dioxygen Activation in the Second Coordination Sphere of the Dicopper Site of pMMO Miyanishi, Mayuko, Abe, Tsukasa, Hori, Yuta, Shiota, Yoshihito, Yoshizawa, Kazunari Inorganic Chemistry 58 (18) 12280 - 12288 (2019)
  9. Dual Catalytic Cycle of H2 and H2O Oxidations by A Half-Sandwich Iridium Complex: A Theoretical Study Ikeda, Kei, Hori, Yuta, Mahyuddin, Muhammad Haris, Shiota, Yoshihito, Staykov, Aleksandar, Matsumoto, Takahiro, Yoshizawa, Kazunari, Ogo, Seiji Inorganic Chemistry 58 (11) 7274 - 7284 (2019)
  10. Local structures and electronic properties of In atoms in In-doped ZnO Hori, Yuta, Shiota, Yoshihito, Ida, Tomonori, Yoshizawa, Kazunari, Mizuno, Motohiro Thin Solid Films 685 (1) 428 - 433 (2019)

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