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J-GLOBAL ID：200901037613464513   Update date: Jan. 31, 2024

Yumura Takashi

ユムラ タカシ | Yumura Takashi
Affiliation and department：
Kyoto Institute of Technology Kyoto Institue of Technology

About Kyoto Institute of Technology Kyoto Institue of Technology


Job title： Professor
Research field  (3)： Basic physical chemistry ,  Nanostructure physics ,  Nanostructure chemistry
Research keywords  (4)： 計算化学 ,  量子化学 ,  computational chemistry ,  quantum chemistry
Research theme for competitive and other funds  (11)：
  • 2018 - 2021 Controlling molecular orientation of Stilbene-derivatives by utilizing one-dimensional nano space: Toward constructing novel wavelength-conversion devices
  • 2015 - 2017 遷移金属含有ゼオライトを用いた生体酵素模倣触媒の創製における計算化学的アプローチ
  • 2014 - 2017 Study of intercalation mechanism and state of sodium into nanopores in carbon materials
  • 2014 - 2017 Designing visible-response switches based on carbon nanotubes containing pi-conjugated molecules
  • 2011 - 2013 Theoretical study on elucidation of the mechanism of oxygen reduction reaction and development of carbon alloy electrodes.
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Papers (95)：
  • Kenta Ogawa, Akifumi Sumida, Takashi Yumura, Hiroaki Imoto, Kensuke Naka. Tertiary Arsine Ligands for Pd-Catalyzed Direct Arylation. Organometallics. 2024
  • Chisa Takahara, Suzuka Iwasaki, Yusuke Miyake, Takashi Yumura, Hiroaki Imoto, Kensuke Naka. Element recycling in arsoles. Bulletin of the Chemical Society of Japan. 2024
  • Kento Nagai, Suguru Morishitabara, Yuji Nishi, Chihiro Kajimoto, Motohiro Yasui, Takashi Yumura, Shigeyuki Yamada, Tsutomu Konno. Experimental and Theoretical Studies on Cobalt-Catalyzed Regioselective Hydrosilylation of Tetrafluorinated Cyclohexa-1,3-dienes. Organic Letters. 2023
  • Shuta Fukuura, Takashi Yumura. Roles of Carbon Nanotube Confinement in Modulating Regioselectivity of 1,3-Dipolar Cycloadditions. The Journal of Physical Chemistry. A. 2023
  • Takashi Yumura, Nobuyuki Sugimori, Shuta Fukuura. Theoretical understanding of stability of mechanically interlocked carbon nanotubes and their precursors. Physical Chemistry Chemical Physics. 2023
ｍore...
MISC (9)：
  • 福浦秀太, 湯村尚史, 西舘陽平. Particle swarm optimization with Lennard-Jones potential: A promising alternative to density functional theory calculations for optimizing host-guest material geometry. 分子科学討論会講演プログラム&要旨(Web). 2023. 17th
  • FUKUURA Shuta, YUMURA Takashi, NISHIDATE Yohei. Exploration of stable structures of host guest materials: A comparison with density functional theory calculations and particle swarm optimization. 日本化学会春季年会講演予稿集(Web). 2023. 103rd
  • 福浦秀太, 湯村尚史. Modulating regioselectivity of 1,3-dipolar cycloaddition by carbon nanotube confinements: A dispersion-corrected density functional theory study. 日本化学会春季年会講演予稿集(Web). 2022. 102nd
  • FUKUURA Shuta, YUMURA Takashi. Modulating selectivity of 1,3-dipolar cycloaddition by carbon nanotube confinements: A dispersion-corrected density functional theory study. フラーレン・ナノチューブ・グラフェン総合シンポジウム講演要旨集. 2021. 61st
  • 福浦秀太, 湯村尚史. Modulating selectivity of 1,3-dipolar cycloaddition by carbon nanotube confinements: A dispersion-corrected density functional theory (DFT) study. 分子科学討論会講演プログラム&要旨(Web). 2021. 15th
ｍore...
Books (2)：
  • Density Functional Theory Studies on Chemical Reactions in Nanocarbon Materials. Yumura, T. Density Functional Theory Studies on Fullerenes and Nanotubes. edited by Basiuk, V. A. and Irle, S., 367-389. (Chapter 9)
    Research Singpost, Kerala, India, 2008
  • Density Functional Theory Studies on Chemical Reactions in Nanocarbon Materials. Density Functional Theory Studies on Fullerenes and Nanotubes. edited by Basiuk, V. A. and Irle, S. 367-389. (Chapter 9)
    Research Singpost, Kerala, India, 2008
Education (2)：
  • - 2003 Kyoto University
  • - 1998 Kyoto University Faculty of Engineering
Professional career (1)：
  • 博士 (工学) (京都大学)
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