Yumura Takashi

ユムラタカシ | Yumura Takashi

Affiliation and department：
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 (100)：

Takanobu Kajino, Shugoro Tsutsumi, Shuji Nagata, Nao Kondo, Takashi Yumura, Toyokazu Tanabe, Saburo Hosokawa. Metal-Support Interaction between Pd Oxide and YCoO₃ Effective for NO Reduction with CO and C₃H₆. The Journal of Physical Chemistry C. 2024
Qi Chen, Rie Suizu, Yoshiaki Shuku, Haruka Omachi, Michio M. Matsushita, Shuta Fukuura, Takashi Yumura, Shunji Bandow, Kunio Awaga. Unveiling π-π interactions in triptycene-phenazine/SWCNT redox chemistry using ESR spectroscopy. Journal of Materials Chemistry A. 2024
Shuta Fukuura, Yohei Nishidate, Takashi Yumura. Performance of Particle Swarm Optimization in Predicting the Orientation of π-Conjugated Molecules Inside Carbon Nanotubes Compared with Density Functional Theory Calculations. The Journal of Physical Chemistry A. 2024
Takanobu Kajino, Ryosuke Sugimoto, Taisei Ueda, Shuta Fukuura, Takashi Yumura, Masaaki Haneda, Saburo Hosokawa. Experimental and Computational Insights into the Catalytic Mechanism of Y_1-xBa_xCoO_3-δ Perovskite Oxides with a Controlled Crystal Structure. Inorganic Chemistry. 2024
Kazuamasa Murata, Keita Arai, Nao Kondo, Ryo Manabe, Takashi Yumura, Saburo Hosokawa. Active site for syngas production by direct partial oxidation of CH₄ over ZrO₂. Catalysis Science and Technology. 2024

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MISC (13)：

稲葉凌斗, 行安純哉, 湯村尚史, 井本裕顕, 中建介. Development of Catalytic Arsa-Wittig Reaction and Design Strategy of Arsenic Catalyst. 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, 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
千代茜絵, 小西将史, 稲葉凌斗, 湯村尚史, 井本裕顕, 井本裕顕, 中建介, 中建介. Development of Stille Coupling Reactions with C₃-symmetrical Arsenic Ligands. 日本化学会春季年会講演予稿集(Web). 2021. 101st

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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)：

Professional career (1)：

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