Udagawa Taro 宇田川太郎

… Alternative Names

UDAGAWA TARO 宇田川太郎

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Researcher Number	70509356
Other IDs
Affiliation (Current)	2025: 岐阜大学, 工学部, 准教授
Affiliation (based on the past Project Information) *help	2022 – 2025: 岐阜大学, 工学部, 准教授 2014 – 2022: 岐阜大学, 工学部, 助教
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry Except Principal Investigator Basic Section 35020:Polymer materials-related / Basic Section 32010:Fundamental physical chemistry-related / Transformative Research Areas, Section (II) / Basic Section 33020:Synthetic organic chemistry-related / Synthetic chemistry / Transition State Control / Physical chemistry
Keywords	Principal Investigator プロトン移動反応 / 原子核の量子揺らぎ / 量子多成分系理論 / 同位体効果 / 化学反応 / 原子核の量子効果 / H/D同位体効果 / NEB法 / 電子励起状態 / 多成分系理論 … More / 多成分量子力学法 / DFT / 励起状態 / 励起状態プロトン移動反応 / 時間依存密度汎関数理論 / 密度汎関数理論 / CI-NEB法 / TD-DFT法 / DFT法 / Nudged elastic band / 化学反応解析 / ストリング法 / 計算化学 / 理論化学 / 化学物理 / 反応経路 / 量子多成分系分子理論 / 多成分系分子理論 / 量子揺らぎ / 量子化学 / 水素移動反応 … More Except Principal Investigator キラリティー転写 / ビナフチル基 / 経路積分法 / 量子多成分系分子理論 / ネットワーク / 架橋 / ポリアクリル酸エチル / ポリアクリル酸メチル / フッ化アルキル / フッ素 / エラストマー / 自己修復 / 量子化学計算 / 反応経路 / 原子核の量子効果 / 原子核の量子性 / 反応経路探索 / 量子古典混合法 / 反応経路自動探索 / 酵素反応 / 量子効果 / 理論化学 / 重水素 / リン原子キラリティ / ビナフチルチオホスホン酸エステル / 計算化学 / リン原子キラリティー / 円偏光発光 / 反応経路理論解析 / 小胞体ストレス / リン原子上置換反応 / P-キラルホスフィン酸エステル / キラリティー転写反応 / 中心性キラリティー / 軸性キラリティー / P-キラル有機リン化合物 / 光学活性配位子 / 不斉転写 / ビナフチルセレノリン酸 / 還元的環化 / セレノホスホン酸エステル / 二級環状ホスフィン / ジアステレオ選択性 / ビナフチルセレノホスホン酸エステル / ラジカル付加反応 / 二級ホスフィン / 一級ホスフィン / P-C連続不斉元素 / リン原子キラル / 光学活性 / P-キラル / セレリリン酸誘導体 / 経路積分 / 量子シミュレーション / 量子論的反応経路 / 量子論的遷移状態 / 多成分系分子理論 / 四角酸 / H/D同位体効果 / 水素結合型強誘電体 Less

重水素を取り扱うための理論計算手法の深化と応用計算Principal Investigator
- Principal Investigator
  
  宇田川太郎
- Project Period (FY)
  2025 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Gifu University
フッ素成分の相分離によって動的に架橋された超高速自己修復エラストマーの開発
- Principal Investigator
  
  三輪洋平
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 35020:Polymer materials-related
- Research Institution
  Gifu University
反応中心自動更新法の開発と酵素反応への応用
- Principal Investigator
  
  鈴木机倫
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Hokkaido University
Development of multicomponent quantum mechanics methods for analyzing excited state chemical reactionsPrincipal Investigator
- Principal Investigator
  
  Udagawa Taro
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Gifu University
Construction of basic theory for deuterium science and creation of new concept
- Principal Investigator
  
  Ishimoto Takayoshi
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Hiroshima University
Development of syntehtic reactions based on the tetracoorinate phosphorus compounds with a chrality
- Principal Investigator
  
  Murai Toshiaki
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 33020:Synthetic organic chemistry-related
- Research Institution
  Gifu University
Development of multicomponent quantum mechanics methods and its applicationPrincipal Investigator
- Principal Investigator
  
  Taro Udagawa
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Gifu University
Development of synthetic methods of optically active organophosphorus compounds with key compounds bearing P=Se group
- Principal Investigator
  
  Murai Toshiki
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Synthetic chemistry
- Research Institution
  Gifu University
Development of multicomponent quantum mechanics methods and its applicationsPrincipal Investigator
- Principal Investigator
  
  UDAGAWA Taro
- Project Period (FY)
  2016 – 2017
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Gifu University
Qquantum transition state and quantum reaction path, and these application to chemical reactions
- Principal Investigator
  
  Tachikawa Masanori
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Transition State Control
- Research Institution
  Yokohama City University
Origin
- Principal Investigator
  
  Tachikawa Masanori
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Yokohama City University

All 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014

All Journal Article Presentation

[Journal Article] Effect of the Mg2+ ratio on the mechanical and self-healing properties of polyisoprene ionomers co-neutralized with Na+ and Mg2+2024
- Author(s)
  Takahashi Rina、Udagawa Taro、Hashimoto Kei、Kutsumizu Shoichi、Miwa Yohei
- Journal Title
  
  Polymer Journal
  
  Volume: - Issue: 7 Pages: 699-704
- DOI
  10.1038/s41428-024-00907-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23409
[Journal Article] Significant nuclear quantum effect of proton in the reaction of phenol and hydroxyl radical2024
- Author(s)
  Udagawa Taro、Shibata Haruya、Tachikawa Masanori
- Journal Title
  
  Chemical Physics
  
  Volume: 581 Pages: 112258-112258
- DOI
  10.1016/j.chemphys.2024.112258
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04991
[Journal Article] Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study2024
- Author(s)
  Udagawa Taro、Tanaka Hikaru、Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 128 Issue: 11 Pages: 2103-2110
- DOI
  10.1021/acs.jpca.4c00239
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K13827, KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-22KJ2564
[Journal Article] Direct Elucidation of the Vibrationally Averaged Structure of Benzene: A Path Integral Molecular Dynamics Study2023
- Author(s)
  Udagawa Taro、Tanaka Hikaru、Hirano Tsuneo、Kuwahata Kazuaki、Tachikawa Masanori、Baba Masaaki、Nagashima Umpei
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 127 Issue: 4 Pages: 894-901
- DOI
  10.1021/acs.jpca.2c07197
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04991, KAKENHI-PLANNED-20H05739, KAKENHI-PROJECT-22KJ2564, KAKENHI-PROJECT-23K17905, KAKENHI-PUBLICLY-23H03993
[Journal Article] Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin2023
- Author(s)
  Udagawa Taro、Yabushita Hinata、Tanaka Hikaru、Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 25 Issue: 23 Pages: 15798-15806
- DOI
  10.1039/d3cp01821k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827, KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-22KJ2564, KAKENHI-PUBLICLY-23H03993
[Journal Article] Unprecedented neighboring group participation of C2 N-imidoxy functionalities for 1,2-trans-selective glycosylation2023
- Author(s)
  Asano Tsuyoshi、Udagawa Taro、Komura Naoko、Imamura Akihiro、Ishida Hideharu、Ando Hiromune、Tanaka Hide-Nori
- Journal Title
  
  Carbohydrate Research
  
  Volume: 527 Pages: 108808-108808
- DOI
  10.1016/j.carres.2023.108808
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-22H00359
[Journal Article] Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron‐induced intramolecular proton transfer reactions in 8‐hydroxyquinoline2022
- Author(s)
  Udagawa Taro、Hattori Ikumi、Kanematsu Yusuke、Ishimoto Takayoshi、Tachikawa Masanori
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 122 Issue: 19
- DOI
  10.1002/qua.26962
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04991, KAKENHI-PLANNED-20H05739, KAKENHI-PLANNED-18H05517, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-23K23026
[Journal Article] Transesterification of P-Chirogenic Hydroxybinaphthyl Phosphinates2022
- Author(s)
  Kawajiri, A.; Udagawa, T.; Minoura, M.; Murai, T.
- Journal Title
  
  ChemsitryOpen
  
  Volume: 11 Issue: 11
- DOI
  10.1002/open.202100294
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19H02712
[Journal Article] Design, Regioselective Synthesis, and Photophysical Properties of Perfluoronaphthalene-Based Donor?Acceptor?Donor Fluorescent Dyes2022
- Author(s)
  Funabiki Kazumasa、Yamada Kengo、Arisawa Yuta、Watanabe Arina、Agou Tomohiro、Kubota Yasuhiro、Inuzuka Toshiyasu、Miwa Yohei、Udagawa Taro、Kutsumizu Shoichi
- Journal Title
  
  The Journal of Organic Chemistry
  
  Volume: 87 Issue: 17 Pages: 11751-11765
- DOI
  10.1021/acs.joc.2c01446
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05033, KAKENHI-PROJECT-20K05619, KAKENHI-PROJECT-20K05647, KAKENHI-PROJECT-23K23409
[Journal Article] Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study2022
- Author(s)
  Udagawa Taro、Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1208 Pages: 113542-113542
- DOI
  10.1016/j.comptc.2021.113542
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-22KJ2564, KAKENHI-PLANNED-20H05739, KAKENHI-PUBLICLY-21H00026
[Journal Article] Oxidative two-way regiocontrolled coupling of 3-methoxycarbonylcatechol and indoles to arylindoles2022
- Author(s)
  Sawama Yoshinari、Kuwata Shoko、Mae Miyu、Udagawa Taro、Akai Shuji、Sajiki Hironao
- Journal Title
  
  Chemical Communications
  
  Volume: 58 Issue: 93 Pages: 12935-12938
- DOI
  10.1039/d2cc04843d
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05738, KAKENHI-PLANNED-20H05739
[Journal Article] Iridium-catalyzed α-selective deuteration of alcohols2022
- Author(s)
  Itoga Moeko、Yamanishi Masako、Udagawa Taro、Kobayashi Ayane、Maekawa Keiko、Takemoto Yoshiji、Naka Hiroshi
- Journal Title
  
  Chemical Science
  
  Volume: 13 Issue: 30 Pages: 8744-8751
- DOI
  10.1039/d2sc01805e
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K04991, KAKENHI-PLANNED-20H05740
[Journal Article] Effect of alkali metal cations on network rearrangement in polyisoprene ionomers2022
- Author(s)
  Yohei Miwa, Koki Hasegawa, Taro Udagawa, Yu Shinke, and Shoichi Kutsumizu
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 24 Issue: 28 Pages: 17042-17049
- DOI
  10.1039/d2cp01159j
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K05619, KAKENHI-PROJECT-23K23409
[Journal Article] A path integral molecular dynamics study on the NH4+ rotation in NH4+?XH2 (X = Be or Mg) dihydrogen bond systems2022
- Author(s)
 Udagawa Taro、Kinoshita Amane、Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
 
 Physical Chemistry Chemical Physics
 
 Volume: 24 Issue: 28 Pages: 17295-17302
- DOI
 10.1039/d2cp01999j
- Peer Reviewed
- Data Source
 KAKENHI-PROJECT-21K04991, KAKENHI-PLANNED-20H05739, KAKENHI-PUBLICLY-21H00026
[Journal Article] Low-Barrier Hydrogen Bond in Fujikurin A?D: A Computational Study2022
- Author(s)
  Tanaka Hikaru、Kuwahata Kazuaki、Tachikawa Masanori、Udagawa Taro
- Journal Title
  
  ACS Omega
  
  Volume: 7 Issue: 16 Pages: 14244-14251
- DOI
  10.1021/acsomega.2c00857
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K04991, KAKENHI-PLANNED-20H05739, KAKENHI-PROJECT-22KJ2564, KAKENHI-PUBLICLY-21H00026
[Journal Article] Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer2022
- Author(s)
  Yohei Miwa, Taro Udagawa, and Shoichi Kutsumizu
- Journal Title
  
  Scientific Reports
  
  Volume: 12 Issue: 1 Pages: 12009-12009
- DOI
  10.1038/s41598-022-16156-9
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K05619, KAKENHI-PROJECT-23K23409
[Journal Article] H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds: Importance of Nuclear Quantum Effects of Hydrogen Nuclei2021
- Author(s)
  Udagawa Taro、Murphy Rhys B.、Darwish Tamim A.、Tachikawa Masanori、Mori Seiji
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 94 Issue: 7 Pages: 1954-1962
- DOI
  10.1246/bcsj.20210083
- NAID
  130008076866
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-21K05016
[Journal Article] Metal-doped carbon nanocones as highly efficient catalysts for hydrogen storage: Nuclear quantum effect on hydrogen spillover mechanism2021
- Author(s)
  Yodsin Nuttapon、Sakagami Hiroki、Udagawa Taro、Ishimoto Takayoshi、Jungsuttiwong Siriporn、Tachikawa Masanori
- Journal Title
  
  Molecular Catalysis
  
  Volume: 504 Pages: 111486-111486
- DOI
  10.1016/j.mcat.2021.111486
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062, KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18K05035, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PLANNED-20H05739
[Journal Article] Determining if Reaction Selectivity Can Be Controlled by the H/D Isotope Effect in CH・・・O Interactions2020
- Author(s)
  Funahashi Haruki、Tachikawa Masanori、Udagawa Taro
- Journal Title
  
  Organic Letters
  
  Volume: 22 Issue: 24 Pages: 9439-9443
- DOI
  10.1021/acs.orglett.0c03351
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18K05028, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945
[Journal Article] Geometrical H/D Isotope Effect of Blue-shifting Dihydrogen-bonded Clusters2020
- Author(s)
  Ishida Yusuke、Funahashi Haruki、Tachikawa Masanori、Udagawa Taro
- Journal Title
  
  Chemistry Letters
  
  Volume: 49 Issue: 6 Pages: 745-748
- DOI
  10.1246/cl.200198
- NAID
  130007852141
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18K05028, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945
[Journal Article] Alternative Route Triggering Multistep Spin Crossover with Hysteresis in an Iron(II) Family Mediated by Flexible Anion Ordering2020
- Author(s)
  Hagiwara Hiroaki、Minoura Ryo、Udagawa Taro、Mibu Ko、Okabayashi Jun
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 59 Issue: 14 Pages: 9866-9880
- DOI
  10.1021/acs.inorgchem.0c01069
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05028, KAKENHI-PROJECT-18K14240
[Journal Article] Effect of heteroatoms on aromaticity analyzed by geometric, magnetic, and electronic criteria2020
- Author(s)
  Iwaki Regina Akemi、Udagawa Taro
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 745 Pages: 137271-137271
- DOI
  10.1016/j.cplett.2020.137271
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05028
[Journal Article] Toward strong self-healing polyisoprene elastomers with dynamic ionic crosslinks2020
- Author(s)
  Miwa Yohei、Kurachi Junosuke、Sugino Yusuke、Udagawa Taro、Kutsumizu Shoichi
- Journal Title
  
  Soft Matter
  
  Volume: 16 Issue: 14 Pages: 3384-3394
- DOI
  10.1039/d0sm00058b
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K05028, KAKENHI-PROJECT-19K05612, KAKENHI-PROJECT-20K05619
[Journal Article] A gas-plastic elastomer that quickly self-heals damage with the aid of CO2 gas2019
- Author(s)
  Miwa Yohei、Taira Kenjiro、Kurachi Junosuke、Udagawa Taro、Kutsumizu Shoichi
- Journal Title
  
  Nature Communications
  
  Volume: 10 Issue: 1 Pages: 1828-1828
- DOI
  10.1038/s41467-019-09826-2
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K05028, KAKENHI-PROJECT-16K05748, KAKENHI-PROJECT-19K05612
[Journal Article] Multicomponent QM study on the reaction of HOSO + NO2 with H2O: Nuclear quantum effect on structure and reaction energy profile2019
- Author(s)
  Hideya Sugimoto, Masanori Tachikawa, Taro Udagawa
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 119(10) Issue: 10
- DOI
  10.1002/qua.25895
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05028, KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-15KT0067
[Journal Article] Constrained sialic acid donors enable selective synthesis of α-glycosides2019
- Author(s)
  Komura Naoko、Kato Keiichi、Udagawa Taro、Asano Sachi、Tanaka Hide-Nori、Imamura Akihiro、Ishida Hideharu、Kiso Makoto、Ando Hiromune
- Journal Title
  
  Science
  
  Volume: 364 Issue: 6441 Pages: 677-680
- DOI
  10.1126/science.aaw4866
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05028, KAKENHI-PROJECT-18K05461, KAKENHI-PROJECT-19K23627, KAKENHI-PROJECT-18H03942, KAKENHI-PROJECT-19J10858
[Journal Article] Theoretical Study on Hydrogen-Tritium Exchange Reactions between Several Organic and HTO Molecules: A Multicomponent QM Study2019
- Author(s)
  Ishibashi Rina、Tachikawa Masanori、Udagawa Taro
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 92 Issue: 3 Pages: 592-599
- DOI
  10.1246/bcsj.20180308
- NAID
  130007611380
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15KT0067, KAKENHI-PUBLICLY-19H05063, KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18H01945
[Journal Article] Iron(II) Spin Crossover Complex with the 1,2,3-Triazole-Containing Linear Pentadentate Schiff-Base Ligand and the MeCN Monodentate Ligand2019
- Author(s)
  Matsuyama Tomoe、Nakata Keishi、Hagiwara Hiroaki、Udagawa Taro
- Journal Title
  
  Crystals
  
  Volume: 9 Issue: 6 Pages: 276-276
- DOI
  10.3390/cryst9060276
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K05028, KAKENHI-PROJECT-18K14240
[Journal Article] Synthesis of carbazoloquinone derivatives and their antileukemic activity via modulating cellular reactive oxygen species2019
- Author(s)
  Suematsu Natsumi、Ninomiya Masayuki、Sugiyama Hodaka、Udagawa Taro、Tanaka Kaori、Koketsu Mamoru
- Journal Title
  
  Bioorganic & Medicinal Chemistry Letters
  
  Volume: 29 Issue: 16 Pages: 2243-2247
- DOI
  10.1016/j.bmcl.2019.06.038
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05028
[Journal Article] Constrained Sialic Acid Donors Enable Stereocontrol of Glycosidation2019
- Author(s)
  Naoko Komura, Keiichi Kato, Taro Udagawa, Sachi Asano, Hide-Nori Tanaka, Akihiro Imamura, Hideharu Ishida, Makoto Kiso, Hiromune Ando
- Journal Title
  
  Science
  
  Volume: 印刷中
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05028
[Journal Article] Supramolecular Light‐Harvesting Antennas of Metal‐Coordinated Bis(8‐Hydroxyquinoline)‐Substituted Porphyrin Networks2019
- Author(s)
  Fujimoto Junko、Hayashi Sari、Kainuma Hideyuki、Manseki Kazuhiro、Udagawa Taro、Miyaji Hidekazu
- Journal Title
  
  Chemistry An Asian Journal
  
  Volume: 14 Issue: 15 Pages: 2567-2572
- DOI
  10.1002/asia.201900483
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05028
[Journal Article] Nuclear quantum effect and H/D isotope effect on Cl・ + (H2O)n → HCl + OH・(H2O)n?1 (n = 1?3) reactions2018
- Author(s)
  Sugiura Keita、Tachikawa Masanori、Udagawa Taro
- Journal Title
  
  RSC Advances
  
  Volume: 8 Issue: 31 Pages: 17191-17201
- DOI
  10.1039/c8ra02679c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-15KT0067
[Journal Article] Systematic Exploitation of Thermotropic Bicontinuous Cubic Phase Families from 1,2-Bis(aryloyl)hydrazine-based Molecules2018
- Author(s)
  S. Kutsumizu, Y. Yamada, T. Sugimoto, N. Yamada, T. Udagawa, and Y. Miwa
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 12 Pages: 7953-7961
- DOI
  10.1039/c7cp08345a
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K05748, KAKENHI-PROJECT-16K17851
[Journal Article] Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study2018
- Author(s)
  Sonawane Amol D.、Garud Dinesh R.、Udagawa Taro、Koketsu Mamoru
- Journal Title
  
  Organic & Biomolecular Chemistry
  
  Volume: 16 Issue: 2 Pages: 245-255
- DOI
  10.1039/c7ob02523h
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17851
[Journal Article] Hyperthermostable cube-shaped assembly in water2018
- Author(s)
  Zhan Yi-Yang、Ogata Kazuho、Kojima Tatsuo、Koide Takuya、Ishii Kentaro、Mashiko Takako、Tachikawa Masanori、Uchiyama Susumu、Hiraoka Shuichi
- Journal Title
  
  Communications Chemistry
  
  Volume: 1 Issue: 1 Pages: 14-14
- DOI
  10.1038/s42004-018-0014-2
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-16H00770, KAKENHI-PUBLICLY-16H00780, KAKENHI-ORGANIZER-25102001, KAKENHI-PLANNED-25102005, KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-15KT0067
[Journal Article] Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements2018
- Author(s)
  Shibahara Fumitoshi、Suzuki Masafumi、Kubota Saki、Fukunaga Tomoki、Udagawa Taro、Murai Toshiaki
- Journal Title
  
  The Journal of Organic Chemistry
  
  Volume: 83 Issue: 6 Pages: 3078-3089
- DOI
  10.1021/acs.joc.8b00306
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05769, KAKENHI-PROJECT-16K17851
[Journal Article] Reduction of OH vibrational frequencies in amino acids by positron attachment2018
- Author(s)
  Y. Sugiura, K. Suzuki, T. Takayanagi, M. Tachikawa, and Y. Kita
- Journal Title
  
  J. Comp. Chem.
  
  Volume: 39 Issue: 25 Pages: 2060-2066
- DOI
  10.1002/jcc.25387
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093, KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-15KT0067
[Journal Article] Reaction mechanism of hydrogen-tritium exchange reactions between several organic and HTO molecules: a role of the second HTO2018
- Author(s)
  Udagawa Taro、Tachikawa Masanori
- Journal Title
  
  RSC Advances
  
  Volume: 8 Issue: 7 Pages: 3878-3888
- DOI
  10.1039/c7ra13110k
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-16H00780, KAKENHI-PROJECT-16K17851, KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-15KT0067
[Journal Article] Unusual H/D isotope effect in isomerization and keto-enol tautomerism reactions of pyruvic acid: Nuclear quantum effect restricts some rotational isomerization reactions2017
- Author(s)
  Taro Udagawa, Keita Sugiura, Kimichi Suzuki, Masanori Tachikawa
- Journal Title
  
  RSC Advances
  
  Volume: 7 Issue: 15 Pages: 9328-9337
- DOI
  10.1039/c6ra28271g
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-16K17851, KAKENHI-PROJECT-15KT0067, KAKENHI-PUBLICLY-16H00780
[Journal Article] Neutral Molecular Iron(II) Complexes Showing Tunable Bistability at Above, Below, and Just Room Temperature by a Crystal Engineering Approach: Ligand Mobility into a Three-Dimensional Flexible Supramolecular Network2017
- Author(s)
  Hagiwara Hiroaki、Masuda Takuya、Ohno Takuya、Suzuki Mika、Udagawa Taro、Murai Kei-ichiro
- Journal Title
  
  Crystal Growth & Design
  
  Volume: 17 Issue: 11 Pages: 6006-6019
- DOI
  10.1021/acs.cgd.7b01141
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K17851
[Journal Article] A multicomponent QM study of H 2 dissociation on small aluminum cluster2017
- Author(s)
  Udagawa Taro、Suzuki Kimichi、Tachikawa Masanori
- Journal Title
  
  Procedia Computer Science
  
  Volume: 108 Pages: 2275-2281
- DOI
  10.1016/j.procs.2017.05.180
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K17851
[Journal Article] Unusual H/D isotope effect in isomerization and keto-enol tautomerism reactions of pyruvic acid: Nuclear quantum effect restricts some rotational isomerization reactions2017
- Author(s)
  T. Udagawa, K. Sugiura, K. Suzuki, and M. Tachikawa,
- Journal Title
  
  RSC Advances
  
  Volume: 7 Pages: 9328-9337
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15KT0067
[Journal Article] A 1,2-trans-Selective Glycosyl Donor Bearing Cyclic Protection at the C-2 and C-3 Hydroxy Groups2017
- Author(s)
  Yagami Nahoko、Tamai Hideki、Udagawa Taro、Ueki Akiharu、Konishi Miku、Imamura Akihiro、Ishida Hideharu、Kiso Makoto、Ando Hiromune
- Journal Title
  
  European Journal of Organic Chemistry
  
  Volume: 2017 Issue: 32 Pages: 4778-4785
- DOI
  10.1002/ejoc.201700671
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15H04495, KAKENHI-PROJECT-16K17851
[Journal Article] Analysis of exponent values of Gaussian-type functions on quantum protons and deuterons in charged or polarized systems2016
- Author(s)
  M. Hashimoto, T. Ishimoto, M. Tachikawa, and T. Udagawa
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: in press
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26620013
[Journal Article] The origin of high stereoselectivity in di-tert-butylsilylene-directed2016
- Author(s)
  A. Imamura, N. Matsuzawa, S. Sakai, T. Udagawa, S. Nakashima, H. Ando, H. Ishida, M. Kiso
- Journal Title
  
  J. Org. Chem.
  
  Volume: 81 Issue: 19 Pages: 9086-9140
- DOI
  10.1021/acs.joc.6b01685
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15H04495, KAKENHI-PROJECT-16K17851, KAKENHI-PROJECT-16K18694
[Journal Article] Analysis of exponent values of Gaussian-type functions on quantum protons and deuterons in charged or polarized systems2016
- Author(s)
  M. Hashimoto, T. Ishimoto, M. Tachikawa, and T. Udagawa
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: in press
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15KT0067
[Journal Article] Nuclear quantum effect and H/D isotope effect on F + (H2O)n → FH + (H2O)n-1OH (n = 1-3) reactions2016
- Author(s)
  T. Udagawa and M. Tachikawa,
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 145 Issue: 16 Pages: 164310-164310
- DOI
  10.1063/1.4966162
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-16H00780, KAKENHI-PROJECT-15KT0067, KAKENHI-PROJECT-16K17851
[Journal Article] Analysis of exponent values of Gaussian-type functions on quantum protons and deuterons in charged or polarized systems2016
- Author(s)
  M. Hashimoto, T. Ishimoto, M. Tachikawa, and T. Udagawa,
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: 116 Issue: 12 Pages: 961-967
- DOI
  10.1002/qua.25117
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-16H00780, KAKENHI-PROJECT-15KT0067
[Journal Article] 多成分密度汎関数理論のための電子-核相関汎関数の開発2016
- Author(s)
  宇田川　太郎、常田　貴夫、立川　仁典
- Journal Title
  
  Journal of Computer Chemistry, Japan
  
  Volume: 15(5) Pages: 143-147
- NAID
  130006892699
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K17851
[Journal Article] Multicomponent molecular orbital-climbing image-nudged elastic band method to analyze chemical reactions including nuclear quantum effect: Application to hydrogen transfer reaction2015
- Author(s)
  T. Udagawa, K. Suzuki, and M. Tachikawa
- Journal Title
  
  Chem Phys Chem
  
  Volume: 16 Issue: 15 Pages: 3156-3160
- DOI
  10.1002/cphc.201500498
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15KT0067, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
[Journal Article] Why does deuterium substitution lead to the contraction of X...Pi distance? Origin of the reverse Ubbelohde effect in XH...Pi interaction2015
- Author(s)
  T. Udagawa and M. Tachikawa
- Journal Title
  
  Theor. Chem. Acc.
  
  Volume: なし Issue: 3
- DOI
  10.1007/s00214-015-1633-7
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013, KAKENHI-PROJECT-15KT0067
[Journal Article] H/D isotope effect on charge-inverted hydrogen-bonded systems: Systematic classification of three different types in H3XH...YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation2015
- Author(s)
  T. Udagawa and M. Tachikawa
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 36 Issue: 22 Pages: 1647-1654
- DOI
  10.1002/jcc.23978
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15KT0067, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
[Journal Article] Why is N...Be distance of NH3H+...DBeH shorter than that of NH3D+...HBeH? Paradoxical geometrical isotope effects for partially isotope-substituted dihydrogen-bonded isotopomers2014
- Author(s)
  T. Udagawa and M. Tachikawa
- Journal Title
  
  J. Comput. Chem. (Communication)
  
  Volume: 35 Issue: 4 Pages: 271-274
- DOI
  10.1002/jcc.23505
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
[Journal Article] Electron-nucleus correlation functional for multi-component density functional theory2014
- Author(s)
  T. Udagawa, T. Tsuneda, and M. Tachikawa
- Journal Title
  
  Phys. Rev. A
  
  Volume: 89 Issue: 5
- DOI
  10.1103/physreva.89.052519
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24350005, KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013, KAKENHI-PROJECT-23225001
[Journal Article] H/D isotope effect on structures, binding energies, and basis set superposition errors in F-(H2O)n (n = 1-3) clusters2014
- Author(s)
  T. Udagawa, T. Ishimoto, and M. Tachikawa
- Journal Title
  
  Chem. Phys.
  
  Volume: 441 Pages: 101-108
- DOI
  10.1016/j.chemphys.2014.07.014
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
[Presentation] Nuclear quantum effects on intramolecular low-barrier hydrogen bond in curcumin2024
- Author(s)
  Taro Udagawa, Hinata Yabushita, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa
- Organizer
  8th International Workshop on Quantum Chemistry, 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 重水素同位体効果を取り扱うための新規量子化学計算手法の開発と応用2024
- Author(s)
  宇田川太郎、立川仁典
- Organizer
  第10回CBI学会個別化医療研究会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] フェノールとOHラジカルによるプロトン移動反応に対する原子核の量子効果の解析2023
- Author(s)
  宇田川太郎、柴田晴矢、立川仁典
- Organizer
  第17回分子科学討論会2023大阪
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 直線分子の振動平均構造に関する経路積分分子動力学シミュレーションによる考察2023
- Author(s)
  田中輝、桑畑和明、立川仁典、宇田川太郎
- Organizer
  第17回分子科学討論会2023大阪
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] Nuclear quantum effect on aromaticity: A path integral molecular dynamics study2023
- Author(s)
  Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa, Taro Udagawa
- Organizer
  TACC2023 in Sapporo
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] DFT study on the nuclear quantum effect in the reaction between phenol and hydroxyl radical2023
- Author(s)
  Taro Udagawa, Haruya Shibata, Masanori Tachikawa
- Organizer
  TACC2023 in Sapporo
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] キャピラリー電気泳動法を用いた重水素による分子物性変化の観察2023
- Author(s)
  江坂幸宏、前田大樹、高須蒼生、山本拓平、宇田川太郎、澤間善成
- Organizer
  日本薬学会第143年会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 経路積分分子動力学法を用いたCurcuminの分子内水素結合構造に関する理論的研究2023
- Author(s)
  田中輝、藪下ひなた、桑畑和明、立川仁典、宇田川太郎
- Organizer
  第25回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 経路積分分子動力学法を用いたCurcuminの分子内水素結合構造に関する理論的研究2023
- Author(s)
  田中輝、藪下ひなた、桑畑和明、立川仁典、宇田川太郎
- Organizer
  日本化学会第103回春季年会2023
- Invited
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] Nuclear quantum effects in various hydrogen-bonded systems: Multi-component quantum mechanics and path integral molecular dynamics studies2022
- Author(s)
  Taro Udagawa, Masanori Tachikawa
- Organizer
  International Congress on Pure & Applied Chemistry Kota Kinabalu
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 超高速で自己修復するフッ素エラストマー2022
- Author(s)
  三輪洋平、宇田川太郎、沓水祥一
- Organizer
  第71回高分子学会年次大会
- Data Source
  KAKENHI-PROJECT-23K23409
[Presentation] ベンゼンおよびベンゼン-d6で観測されるほぼ等しいC-H/C-D結合長に対する経路積分分子動力学シミュレーションによる考察2022
- Author(s)
  宇田川太郎
- Organizer
  冷却分子・精密分光シンポジウム
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 原子核の量子効果を考慮したNH4+...XH2 (X = Be or Mg)二水素結合クラスターの解析2022
- Author(s)
  宇田川太郎、木下天音、桑畑和明、立川仁典
- Organizer
  第16回分子科学討論会2022横浜
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 経路積分分子動力学法を用いた芳香族性に対する量子効果の解析2022
- Author(s)
  田中輝、桑畑和明、立川仁典、宇田川太郎
- Organizer
  第16回分子科学討論会2022横浜
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] A path integral molecular dynamics study for C6H6 and C6D6: why were the same C-H and C-D bond lengths observed in experiment?2022
- Author(s)
  Taro Udagawa
- Organizer
  7th International Symposium of Quantum Beam Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] Direct elucidation of the reason for almost the same bond lengths for C-H and C-D bonds in C6H6 and C6D6: a path integral molecular dynamics study2022
- Author(s)
  Taro Udagawa, Hikaru Tanaka, Kazuaki Kuwahata, Masaaki Baba, Tsuneo Hirano, Umpei Nagashima, Masanori Tachikawa
- Organizer
  75th International Symposium on Molecular Spectroscopy
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 経路積分分子動力学法を用いた芳香族性に対する量子効果の解析2022
- Author(s)
  田中輝、桑畑和明、立川仁典、宇田川太郎
- Organizer
  日本コンピュータ化学会2022年春季年会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] A path integral molecular dynamics study for C6H6 and C6D6: why were the same C-H and C-D bond lengths observed in experiment?2022
- Author(s)
  Taro Udagawa
- Organizer
  7th Japan-Thai workshop on Theoretical and Computational Chemistry 2022
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] ベンゼンおよびベンゼン-d6で観測されるほぼ等しいC-H/C-D結合長に関する経路積分分子動力学法を用いた直接的な考察2022
- Author(s)
  宇田川太郎、田中輝、平野恒夫、桑畑和明、立川仁典、馬場正昭、長嶋雲兵
- Organizer
  第24回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] ベンゼンの振動平均構造：計算分子分光学からの提言2022
- Author(s)
  平野恒夫、宇田川太郎、田中輝、桑畑和明、立川仁典、長嶋雲兵、馬場正昭
- Organizer
  第16回分子科学討論会2022横浜
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 超高速で自己修復するフッ素エラストマー2022
- Author(s)
  三輪洋平、宇田川太郎、沓水祥一
- Organizer
  日本ゴム協会2022年年次大会
- Data Source
  KAKENHI-PROJECT-23K23409
[Presentation] H/D isotope effects in keto-enol tautomerism of β-dicarbonyl compounds -Importance of nuclear quantum effects of hydrogen nuclei-2022
- Author(s)
  Taro Udagawa, Rhys B. Murphy, Tamim A. Darwish, Masanori Tachikawa, Seiji Mori
- Organizer
  25th IUPAC International Conference on Physical Organic Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] フッ素成分によって動的に架橋した自己修復性エラストマー2022
- Author(s)
  三輪洋平、宇田川太郎、沓水祥一
- Organizer
  第71回高分子討論会
- Data Source
  KAKENHI-PROJECT-23K23409
[Presentation] 経路積分分子動力学法を用いたFujikurin A-D中の分子内水素結合構造に関する理論的解析2021
- Author(s)
  田中輝、桑畑和明、立川仁典、宇田川太郎
- Organizer
  日本コンピュータ化学会2021年秋季年会inつくば
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 経路積分分子動力学法を用いたカチオン化したサリチルアルデヒドの分子内水素結合構造に関する理論的解析2021
- Author(s)
  田中輝、桑畑和明、立川仁典、宇田川太郎
- Organizer
  第52回中部化学関係学協会支部連合秋季大会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 2位N-イミドイル保護グルコース供与体を用いた高β選択的グリコシル化反応2021
- Author(s)
  淺野剛志、宇田川太郎、河村奈緒子、安藤弘宗、田中秀則
- Organizer
  日本農芸化学会2021年度大会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 励起状態分子内プロトン移動反応に対するH/D同位体効果の理論的解析2021
- Author(s)
  服部郁美、兼松佑典、石元孝佳、立川仁典、宇田川太郎
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 励起状態分子内プロトン移動反応に対するH/D同位体効果の理論的解析2021
- Author(s)
  服部郁美、兼松佑典、石元孝佳、立川仁典、宇田川太郎
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 芳香族炭化水素分子のCH3内部回転に対するH/D同位体効果の理論的解析2021
- Author(s)
  宇田川太郎
- Organizer
  計算分子分光学セミナー2021
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 改良Freezing String法を用いた遷移状態構造探索の高速化2021
- Author(s)
  柴田晴矢、立川仁典、宇田川太郎
- Organizer
  第11回CSJ化学フェスタ
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 経路積分分子動力学法を用いたFujikurin D中の分子内水素結合構造に関する理論的解析2021
- Author(s)
  田中輝、桑畑和明、立川仁典、宇田川太郎
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] H/D isotope effects on CH3 rotation in 9-methylanthracene by multi-component quantum mechanics method2021
- Author(s)
  Taro Udagawa, Takayoshi Ishimoto, Umpei Nagashima, Tsuneo Hirano, Naofumi Nakayama, Masanori Tachikawa, Masaaki Baba
- Organizer
  The 5th Asian Workshop on Molecular Spectroscopy
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 軽水素含有有機化合物と重水素含有有機化合物の挙動の違いに関する理論的研究2021
- Author(s)
  森聖治、宇田川太郎、立川仁典
- Organizer
  トリチウム研究会 2021
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 分子内プロトン移動反応に対する水素原子核の量子効果とH/D同位体効果の理論的解析2021
- Author(s)
  服部郁美、兼松佑典、石元孝佳、立川仁典、宇田川太郎
- Organizer
  第11回CSJ化学フェスタ
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] Metal-doped carbon nanocones as highly efficient catalysts for hydrogen storage: nuclear quantum effect on hydrogen spillover mechanism2021
- Author(s)
  Nuttapon Yodsin, Hiroki Sakagami, Taro Udagawa, Takayoshi Ishimoto, Siriporn Jungsutiwong, Masanori Tachikawa
- Organizer
  6th Japan-Thai Online-Workshop on Theoretical and Computational Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04991
[Presentation] 量子多成分系分子理論を用いた9-メチルアントラセンのCH3回転に対するH/D同位体効果の理論的解析2020
- Author(s)
  宇田川太郎
- Organizer
  重水素化薬剤研究会2020横浜
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 理論計算による反応経路探索高速化のためのString法の改良2020
- Author(s)
  舩橋晴輝、立川仁典、宇田川太郎
- Organizer
  第10回CSJ化学フェスタ2020
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 重水素を取り扱うための量子化学計算手法の開発と応用計算2020
- Author(s)
  宇田川太郎
- Organizer
  第1回Deut-Switchセミナー
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 2位N-イミドイル保護グルコース供与体を用いた立体選択的グリコシル化反応2020
- Author(s)
  淺野剛志、宇田川太郎、河村奈緒子、安藤弘宗、田中秀則
- Organizer
  第39回日本糖質学会年会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 重水素を取り扱うための量子化学計算手法の開発と応用計算2020
- Author(s)
  宇田川太郎
- Organizer
  第1回Deut-Switchセミナー
- Invited
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] CH...O相互作用に対するH/D同位体効果の理論的解析：化学反応への影響について2019
- Author(s)
  舩橋晴輝、立川仁典、宇田川太郎
- Organizer
  第13回分子科学討論会名古屋2019
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 1,2,3-トリアゾール基を含む直鎖型五座配位子とアセトニトリルが配位した単核鉄(II)錯体の合成、構造と非晶質化を伴うスピン転移2019
- Author(s)
  松山冬萌、萩原宏明、中田敬士、宇田川太郎
- Organizer
  錯体化学会第69回討論会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 中和金属イオン種の違いによるイオン性ポリイソプレンエラストマーの物性の変化2019
- Author(s)
  長谷川功季、三輪洋平、宇田川太郎、沓水祥一、新家雄
- Organizer
  第68回高分子討論会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] カルコン誘導体の合成と細胞毒性に関する理論的考察2019
- Author(s)
  國田英怜奈、二ノ宮真之、纐纈守、宇田川太郎
- Organizer
  第50回中部化学関連学協会支部連合秋季大会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 多成分量子力学CI-NEBおよびCI-String法の高速化と応用計算2019
- Author(s)
  杉浦啓太、鈴木机倫、立川仁典、宇田川太郎
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] ムラヤキノン型カルバゾロキノン類の合成とヒト癌細胞に対する細胞毒性の検討2019
- Author(s)
  杉山穂高、末松奈津美、二ノ宮真之、宇田川太郎、纐纈守
- Organizer
  第50回中部化学関連学協会支部連合秋季大会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] CO2ガスですばやく自己修復するイオン性シリコーンエラストマー2019
- Author(s)
  三輪洋平、平健二郎、宇田川太郎、沓水祥一
- Organizer
  第28回ポリマー材料フォーラム
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 多成分系QM法によるCH3内部回転のH/D同位体効果に関する理論的研究2019
- Author(s)
  宇田川太郎
- Organizer
  高分解能分子分光シンポジウム2019京都
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] Multicomponent QM-climbing image nudged elastic band method to analyze chemical reactions including nuclear quantum nature2019
- Author(s)
  Taro Udagawa, Kimichi Suzuki, Masanori Tachikawa
- Organizer
  The 23rd International Annual Symposium on Computational Science and Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 9-メチルアントラセンのCH3内部回転に対するH/D同位体効果の理論的解析2019
- Author(s)
  宇田川太郎、石元孝佳、長嶋雲兵、平野恒夫、中山尚史、馬場正昭
- Organizer
  第13回分子科学討論会名古屋2019
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 動的イオン架橋エラストマーの力学特性と自己修復挙動に対する中和金属イオン種の効果2019
- Author(s)
  長谷川功季、三輪洋平、倉地寿乃介、宇田川太郎、沓水祥一、新家雄
- Organizer
  第68回高分子学会年次大会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] イオン性シリコーンエラストマーの自己修復メカニズム2019
- Author(s)
  三輪洋平、平健二郎、宇田川太郎、沓水祥一
- Organizer
  第68回高分子討論会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] Multicomponent QM-climbing image-nudged elastic band method to analyze chemical reactions including nuclear quantum nature2019
- Author(s)
  Taro Udagawa, Kimichi Suzuki, Masanori Tachikawa
- Organizer
  The 23rd International Annual Symposium on Computational Science and Engineering (ANSCSE23)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 多成分量子力学CI-NEB法およびCI-String法の高速化と応用計算2019
- Author(s)
  杉浦啓太、鈴木机倫、立川仁典、宇田川太郎
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 二環性シアル酸を用いたαグリコシド化反応の開発2019
- Author(s)
  河村奈緒子、加藤慶一、宇田川太郎、浅野早知、田中秀則、今村彰宏、石田秀治、木曽真、安藤弘宗
- Organizer
  第38回日本糖質学会年会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] CO2を利用して素早く自己修復するイオン性シリコーンエラストマー2019
- Author(s)
  平健二郎、三輪洋平、宇田川太郎、沓水祥一
- Organizer
  第68回高分子討論会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] MC_QM法を用いた9-メチルアントラセンのCH3回転に対するH/D同位体効果の理論的解析2019
- Author(s)
  宇田川太郎
- Organizer
  計算分子分光学セミナー2019横浜
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 室温で自発的な自己修復性を示すイオン性シリコーンエラストマー2019
- Author(s)
  三輪洋平、平健二郎、門勇輔、宇田川太郎、沓水祥一
- Organizer
  第68回高分子学会年次大会
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] Nuclear quantum effect and H/D isotope effect on Cl + (H2O)n -> HCl + OH(H2O)n-1 (n = 1-3) reactions2018
- Author(s)
  Keita Sugiura, Masanori Tachikawa, Taro Udagawa
- Organizer
  6th Asian Network for Natural and Unnatural Materials (ANNUM VI)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 量子多成分系理論によるH/D同位体効果の解析2018
- Author(s)
  宇田川太郎
- Organizer
  高分解能分子分光シンポジウム2018富山
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] A MC_QM-ONIOM-NEB method for analyzing isotope effect in chemical reactions in large systems2018
- Author(s)
  Hideya Sugimoto, Masanori Tachikawa, Taro Udagawa
- Organizer
  6th Asian Network for Natural and Unnatural Materials (ANNUM VI)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 多成分量子力学CI-NEB法の拡張と応用計算2018
- Author(s)
  杉浦啓太、鈴木机倫、立川仁典、宇田川太郎
- Organizer
  第12回分子科学討論会2018福岡
- Data Source
  KAKENHI-PROJECT-18K05028
[Presentation] 多成分量子力学NEB法を用いたHTOと有機分子によるH/T交換反応の理論的解析2017
- Author(s)
  石橋里菜、杉浦啓太、立川仁典、宇田川太郎
- Organizer
  第48回中部化学関係学協会支部連合秋季大会
- Data Source
  KAKENHI-PROJECT-16K17851
[Presentation] 多成分量子力学法によるHOSO・ + NO2 + (H2O)n (n=0-2)水素移動反応の理論的解析2017
- Author(s)
  杉本英哉、立川仁典、宇田川太郎
- Organizer
  第11回分子化学討論会仙台
- Data Source
  KAKENHI-PROJECT-16K17851
[Presentation] 2,3-環状保護糖供与体を用いた1,2-trans-選択的グリコシド化の検討と糖脂質合成への応用2017
- Author(s)
  八神なほ子、玉井秀樹、宇田川太郎、植木章晴、小西美紅、今村彰宏、石田秀治、木曽真、安藤弘宗
- Organizer
  第48回中部化学関係学協会支部連合秋季大会
- Data Source
  KAKENHI-PROJECT-16K17851
[Presentation] 多成分量子力学法によるCl・ + (H2O)n → HCl + OH・(H2O)n-1 (n=1-3)反応の理論的解析2017
- Author(s)
  杉浦啓太、立川仁典、宇田川太郎
- Organizer
  第11回分子化学討論会仙台
- Data Source
  KAKENHI-PROJECT-16K17851
[Presentation] A multicomponent QM study of H2 dissociation on small alminum cluster2017
- Author(s)
  Taro Udagawa, Kimichi Suzuki, Masanori Tachikawa
- Organizer
  International Conference of Computational Science
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17851
[Presentation] 原子核の量子効果を考慮した多成分分子軌道-NEB法による水素移動反応の解析2016
- Author(s)
  宇田川　太郎、立川　仁典
- Organizer
  第10回分子科学討論会2016神戸
- Place of Presentation
  神戸ファッションマート(兵庫)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16K17851
[Presentation] 1,2-ビス(アリーロイル)ヒドラジンによって形成される共連続キュービック液晶の分子設計と構造制御2016
- Author(s)
  沓水　祥一、山田　祐太朗、川淵　茜、常盤　一成、宇田川　太郎、三輪　洋平
- Organizer
  第65回高分子学会年次大会
- Place of Presentation
  神戸国際会議場・展示場(兵庫)
- Year and Date
  2016-05-25
- Data Source
  KAKENHI-PROJECT-16K17851

1. Murai Toshiki (70166239)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
2. Tachikawa Masanori (00267410)

# of Collaborated Projects: 2 results

# of Collaborated Products: 18 results
3. Ishimoto Takayoshi (50543435)

# of Collaborated Projects: 2 results

# of Collaborated Products: 3 results
4. 兼松佑典 (10765936)

# of Collaborated Projects: 2 results

# of Collaborated Products: 4 results
5. NAGASSHIMA UMPEI (90164417)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. SHIGA MOTOYUKI (40370407)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. KITA YUKIUMI (40453047)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 芝原文利 (60362175)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
9. 海老原昌弘 (80201961)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 平田洋子 (50271523)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 今井喜胤 (80388496)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 鈴木机倫 (70793404)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. 三輪洋平 (10635692)

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results
14. SAWAMA Yoshinari

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
15. 沓水祥一

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
16. 吾郷友宏

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. 常田貴夫

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
18. 安藤弘宗

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
19. 内山進

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
20. 高柳敏幸

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
21. 桑畑和明

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Udagawa Taro 宇田川 太郎

UDAGAWA TARO 宇田川 太郎

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重水素を取り扱うための理論計算手法の深化と応用計算Principal Investigator

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フッ素成分の相分離によって動的に架橋された超高速自己修復エラストマーの開発

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反応中心自動更新法の開発と酵素反応への応用

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Development of multicomponent quantum mechanics methods for analyzing excited state chemical reactionsPrincipal Investigator

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Construction of basic theory for deuterium science and creation of new concept

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Development of syntehtic reactions based on the tetracoorinate phosphorus compounds with a chrality

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Development of multicomponent quantum mechanics methods and its applicationPrincipal Investigator

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Development of synthetic methods of optically active organophosphorus compounds with key compounds bearing P=Se group

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Development of multicomponent quantum mechanics methods and its applicationsPrincipal Investigator

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Qquantum transition state and quantum reaction path, and these application to chemical reactions

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[Journal Article] Effect of the Mg2+ ratio on the mechanical and self-healing properties of polyisoprene ionomers co-neutralized with Na+ and Mg2+2024

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[Journal Article] Significant nuclear quantum effect of proton in the reaction of phenol and hydroxyl radical2024

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Udagawa Taro 宇田川太郎

UDAGAWA TARO 宇田川太郎