ホーム > 栢沼 愛/ Kayanuma, Megumi

栢沼 愛

ALUMNI 2024年3月現在、筑波大学が主たる所属機関ではありません

Kayanuma, Megumi

産業技術総合研究所 , 機能材料コンピュテーショナルデザイン研究センター , 主任研究員
National Institute of Advanced Indstrial Science and Technology , Research Center for Computational Design of Advancd Functional Materials

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  1. 1. Theoretical Study of Atom-Transfer Radical Addition Reactions between Perfluoroalkyl Iodides and Styrene Using a Copper Photoredox Catalyst. Megumi Kayanuma
      The journal of physical chemistry. A 127: 153 - 159 (2023) Semantic Scholar
  2. 2. Theoretical study of the side reactions of ethanol-to-butadiene conversion on MgO catalyst: formation of diethyl ether, ethyl acetal, 1,3-butanediol, methyl ethyl ketone, n-butanol, butanal, and acetone Megumi Kayanuma; Yu Shinke; Tomohisa Miyazawa; Tadahiro FujitaniYoong Kee Choe
      Theoretical Chemistry Accounts 141: (2022) Semantic Scholar
  3. 3. Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space Hori, Yuta; Nakamura, Honami; Sakawa, Takahide; Natsuki, Watanabe (+3 著者) Yasuteru, Shigeta
      Astrobiology 22: 1330 - 1336 (2022) Semantic Scholar
  4. 4. Cooperative Reaction of Hydrogen-Networked Water Molecules at the SiC-H2O2Solution Interface: Microscopic Insights from Ab Initio Molecular Dynamics Tetsuya Morishita; Megumi Kayanuma; Takenobu Nakamura; Tomohisa Kato
      Journal of Physical Chemistry C 126: 12441 - 12449 (2022) Semantic Scholar
  5. 5. Photosubstitution reaction of a bidentate ligand in a Ru(II) complex in aqueous solution Megumi Kayanuma
      Computational and Theoretical Chemistry 1213: (2022) Semantic Scholar
  6. 6. Reaction mechanisms of the initial steps for the oxidation of (0001¯) C and (0001) Si faces of SiC with OH radicals Megumi Kayanuma; Tomohisa Kato; Tetsuya Morishita
      Surface Science 719: (2022)
  7. 7. Theoretical Study of the Mechanism for the Reaction of Trimethylaluminum with Ozone. Megumi Kayanuma; Yoong-Kee Choe; Takayuki Hagiwara; Naoto KamedaYukihiro Shimoi
      ACS omega 6: 26282 - 26292 (2021) Semantic Scholar
  8. 8. On-Demand Chirality Transfer of Human Serum Albumin to Bis(thiophen-2-yl)hexafluorocyclopentenes through Their Photochromic Ring Closure. Yuri Saeki; Megumi Kayanuma; Aki Nitta; Yasuteru Shigeta (+3 著者) Yasushi Yokoyama
      The Journal of organic chemistry 86: 12549 - 12558 (2021) Semantic Scholar
  9. 9. Weak O2 binding and strong H2O2 binding at the non-heme diiron center of trypanosome alternative oxidase. Sotaro Yamasaki; Mitsuo Shoji; Megumi Kayanuma; Vladimir Sladek (+6 著者) Yasuteru Shigeta
      Biochimica et biophysica acta. Bioenergetics 1862: 148356 - 148356 (2021) Semantic Scholar
  10. 10. Mechanistic investigation on ethanol-to-butadiene conversion reaction over metal oxide clusters Valeria Butera; Yusuke Tanabe; Yu Shinke; Tomohisa Miyazawa (+2 著者) Yoong-Kee Choe
      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 121: (2021) Semantic Scholar
  11. 11. Theoretical study of the side reactions of the catalytic conversion of ethanol to butadiene on metal oxide catalysts Megumi Kayanuma; Yu Shinke; Tomohisa Miyazawa; Tadahiro FujitaniYoong-Kee Choe
      CATALYSIS COMMUNICATIONS 149: (2021) Semantic Scholar
  12. 12. Structure dependency of the reactivity of aromatic hydrocarbons involving the formation of oxygenated polycyclic aromatic hydrocarbons (OPAHs) Megumi Kayanuma; Shunsuke Suzuki; Yoong-Kee Choe; Yukihiro Shimoi
      CHEMICAL PHYSICS LETTERS 754: (2020) Semantic Scholar
  13. 13. A New Lipid Force Field (FUJI). Nozomu Kamiya; Megumi Kayanuma; Hideaki Fujitani; Keiko Shinoda
      Journal of chemical theory and computation 16: 3664 - 3676 (2020) Semantic Scholar
  14. 14. Understanding the Detection Mechanisms and Ability of Molecular Hydrogen on Three-Dimensional Bicontinuous Nanoporous Reduced Graphene Oxide. Yoshikazu Ito; Megumi Kayanuma; Yasuteru Shigeta; Jun-Ichi FujitaYoichi Tanabe
      Materials (Basel, Switzerland) 13: (2020) Semantic Scholar
  15. 15. First-Principles Study of the Reaction Mechanism of CHO + H on Graphene Surface Kayanuma, Megumi; Shoji, Mitsuo; Furuya, Kenji; Kamiya, Katsumasa (+2 著者) Shigeta, Yasuteru
      The journal of physical chemistry. A 123: 5633 - 5639 (2019) Semantic Scholar
  16. 16. Reaction mechanism of non-enzymatic stereoselective formation of wine lactone Kyan Akane; Kayanuma Megumi; Shoji Mitsuo; Shigeta Yasuteru
      CHEMICAL PHYSICS LETTERS 725: 114 - 118 (2019) Semantic Scholar
  17. 17. In Silico Structural Modeling and Analysis of Elongation Factor-1 Alpha and Elongation Factor-like Protein Sakamoto Kotaro; Kayanuma Megumi; Inagaki Yuji; Hashimoto TetsuoShigeta Yasuteru
      ACS OMEGA 4: 7308 - 7316 (2019) Semantic Scholar
  18. 18. Photosubstitution Reaction of cis-[Ru(bpy)(2)(CH3CN)(2)](2+) and cis-[Ru(bpy)(2)(NH3)(2)](2+) in Aqueous Solution via Monoaqua Intermediate Kayanuma, Megumi; Shoji, Mitsuo; Shigeta, Yasuteru
      The journal of physical chemistry. A 123: 2497 - 2502 (2019) Semantic Scholar
  19. 19. Theoretical study of the photodissociation reaction of methanol Kayanuma Megumi; Shoji Mitsuo; Furuya Kenji; Aikawa Yuri (+1 著者) Shigeta Yasuteru
      CHEMICAL PHYSICS LETTERS 714: 137 - 142 (2019) Semantic Scholar
  20. 20. A Practical Approach for Searching Stable Molecular Structures by Introducing Repulsive Interactions among Walkers Shoji Mitsuo; Kayanuma Megumi; Shigeta Yasuteru
      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91: 1465 - 1473 (2018) Semantic Scholar
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