堀 優太 / Hori, Yuta

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

 

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, Shigeta, Yasuteru, Ida, Tomonori, Mizuno, Motohiro 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. 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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