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J-GLOBAL ID：201401057000562220   Update date: Sep. 04, 2024

Nakatani Naoki

ナカタニ ナオキ | Nakatani Naoki
Affiliation and department：
Tokyo Metropolitan University

About Tokyo Metropolitan University


Research field  (1)： Basic physical chemistry
Research keywords  (5)： 錯体化学 ,  触媒化学 ,  密度行列繰込み群 ,  励起状態 ,  電子相関理論
Research theme for competitive and other funds  (7)：
  • 2021 - 2025 XANES-hybrid theoretical studies on the reaction mechanisms of transition metal complexes
  • 2021 - 2024 Development of relativistic electron correlation method toward actinide compounds
  • 2020 - 2022 Theoretical study on the geometry and electronic structures of soft-crystals based on periodic QM/MM method
  • 2019 - 2022 XAS Analysis of Catalytically Active Species in Olefin Polymerization/ Dimerization using Molecular Complex Catalysts with Early Transition Metals
  • 2015 - 2018 Electronic Structure Control, Geometry, Property, and Reaction of Complex systems Donsisting of Transition Metal Element: Theoretical study
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Papers (55)：
  • Yu Fujiki, Tomoki Matsuyama, Soichi Kikkawa, Jun Hirayama, Hikaru Takaya, Naoki Nakatani, Nobuhiro Yasuda, Kiyofumi Nitta, Yuichi Negishi, Seiji Yamazoe. Counteranion-induced structural isomerization of phosphine-protected PdAu8 and PtAu8 clusters. Communications Chemistry. 2023. 6. 1
  • Hiroya Ishikawa, Naoki Nakatani, Sho Yamaguchi, Tomoo Mizugaki, Takato Mitsudome. Robust Ruthenium Phosphide Catalyst for Hydrogenation of Sulfur-Containing Nitroarenes. ACS Catalysis. 2023. 13. 8. 5744-5751
  • Vorakit Chudatemiya, Mio Tsukada, Hiroki Nagakari, Soichi Kikkawa, Jun Hirayama, Naoki Nakatani, Takafumi Yamamoto, Seiji Yamazoe. Selective CO2 Fixation to Styrene Oxide by Ta-Substitution of Lindqvist-Type [(Ta,Nb)(6)O-19](8-) Clusters. CATALYSTS. 2023. 13. 2
  • Yasuyuki Yamada, Kentaro Morita, Takuya Sugiura, Yuka Toyoda, Nozomi Mihara, Masanari Nagasaka, Hikaru Takaya, Kiyohisa Tanaka, Takanori Koitaya, Naoki Nakatani, et al. Stacking of a Cofacially Stacked Iron Phthalocyanine Dimer on Graphite Achieved High Catalytic CH4 Oxidation Activity Comparable to That of pMMO. JACS Au. 2023. 3. 3. 823-833
  • Kaito Nomiya, Naoki Nakatani, Naofumi Nakayama, Hitoshi Goto, Masayuki Nakagaki, Shigeyoshi Sakaki, Masaki Yoshida, Masako Kato, Masahiko Hada. Theoretical Study on the Vapochromic Ni(II)-Quinonoid Complex: One-Dimensional Stacking Structure-Based Color Switching. The Journal of Physical Chemistry A. 2022. 126. 42. 7687-7694
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MISC (6)：
  • 藤木裕宇, 松山知樹, 高谷光, 安田伸広, 中谷直輝, 山添誠司, 山添誠司, 山添誠司. カウンターアニオンによるホスフィン保護金属クラスターの構造制御. 日本化学会春季年会講演予稿集(CD-ROM). 2019. 99th
  • 松山知樹, 藤木裕宇, 高谷光, 安田伸広, 中谷直輝, 平山純, 平山純, 山添誠司, 山添誠司, 山添誠司. ポリオキソメタレートによるホスフィン保護金属クラスターの構造異性化. 分子科学討論会講演プログラム&要旨(Web). 2019. 13th
  • 藤木裕宇, 松山知樹, 高谷光, 安田伸広, 中谷直輝, 山添誠司, 山添誠司, 山添誠司. カウンターアニオンによるホスフィン保護合金クラスターの構造異性化. ナノ学会大会講演予稿集. 2019. 17th
  • J. Hasegawa, K. Fujimoto, N. Nakatani, H. Nakatsuji. Spectral Tuning Mechanism in Photofunctional Proteins: A SAC-CI Theoretical Study. Frontiers of Computational Science 2008. 2008. 1-8
  • 長谷川 淳也, 藤本 和宏, 中谷 直輝, 中辻 博. 生物による光吸収・発光色の多様性に関する電子論的起源について. 京都大学学術情報メディアセンター全国共同利用版広報. 2008. 7. 2. 27-28
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Books (1)：
  • 金属錯体の量子・計算化学 (錯体化学会選書)
    三共出版 2014 ISBN:4782707096
Lectures and oral presentations  (13)：
  • Adsorption energies of atoms and molecules on the amorphous ice surface based on quantum chemistry calculations
    (Exploring the Universe: Near Earth Space Science to Extra-Galactic Astronomy 2018)
  • Adsorption energies of atoms and molecules on the low-temperature amorphous water ice: A systematic estimation from quantum chemistry calculations
    (COSPAR 2018 42nd Assembly 2018)
  • 第一原理計算による星間氷表面への原子・分子の吸着エネルギーの推定
    (宇宙生命計算科学連携拠点 第3回ワークショップ 2017)
  • Ab initio Quantum Chemistry for Iron Complexes
    (Base Metal Catalysis Symposium 2016)
  • Matrix Product Multi-Linear Algebra Library
    (International Workshop on Tensor Networks and Quantum Many-Body Problems (TNQMP2016) 2016)
ｍore...
Education (3)：
  • 2007 - 2010 京都大学大学院 工学研究科 分子工学専攻(博士後期)
  • 2005 - 2007 京都大学大学院 工学研究科 合成・生物化学専攻(修士)
  • 2003 - 2005 Kyoto University
Professional career (1)：
  • 博士(工学) (京都大学)
Work history (8)：
  • 2023/04 - 現在 Tokyo Metropolitan University Department of Chemistry, Graduate School of Science Professor
  • 2017/01 - 2023/03 Tokyo Metropolitan University Department of Chemistry, Graduate School of Science Associate Professor
  • 2015/07 - 2016/12 Institute for Catalysis, Hokkaido University Assistant Professor
  • 2013/10 - 2015/06 Catalysis Research Center, Hokkaido University Research Assistant Professor
  • 2012/01 - 2013/09 Princeton University Postdoctral Associate
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