Yumura Takashi 湯村尚史

… Alternative Names

YUMURA Takashi 湯村尚史

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Researcher Number	80452374
Other IDs
Affiliation (Current)	2025: 京都工芸繊維大学, 材料化学系, 教授
Affiliation (based on the past Project Information) *help	2024: 京都工芸繊維大学, 材料化学系, 教授 2018 – 2020: 京都工芸繊維大学, 材料化学系, 教授 2016: 京都工芸繊維大学, 材料化学系, 准教授 2015: 京都工芸繊維大学, その他部局等, 准教授 2013 – 2014: 京都工芸繊維大学, 工芸科学研究科, 准教授 2007 – 2012: Kyoto Institute of Technology, 工芸科学研究科, 助教 2010: 京都工芸繊維大学, 大学院・工芸科学研究科, 助教
Review Section/Research Field	Principal Investigator Nanostructural science / Medium-sized Section 28:Nano/micro science and related fields / Basic Section 28010:Nanometer-scale chemistry-related / Science and Engineering / Nanostructural chemistry Except Principal Investigator Catalyst/Resource chemical process / Inorganic chemistry / Functional materials/Devices
Keywords	Principal Investigator 密度汎関数法計算 / ナノ空間 / カーボンナノチューブ / 密度汎関数法 / 遷移状態 / ナノチューブ / 二次の非線形光学特性 / パイ共役 / 軌道相互作用 / 化学反応 … More / 粒子群最適化 / 二次の非線形光学 / ナノ細孔 / ゼオライト / 活性化エネルギー / メタン活性化 / パイ共役系分子 / フロンティア軌道 / パイ共役分子 / 非線形光学特性 / 分子配向 / 光応答性 / 構造機能相関性 / 分散力 / 制限された空間 / 触媒 / 遷移金属 / 触媒反応 / フラーレン / ホストーゲスト材料 / 原子価結合論 / ナノ細孔閉じ込め効果 / 構造有機化学 / 第一原理計算 … More Except Principal Investigator 燃料電池 / 密度汎関数法計算 / グラフェン / 電気化学への応用 / DFT計算 / 含窒素炭素電極 / 酸素還元反応 / 密度汎関数法 / 炭素電極 / 吸着熱 / Cu^+-Xe結合 / Xe吸着・分離剤 / DFT calculation / Xe-NMR / XAFS / 希ガス / CuMFI / キセノン(Xe) / 室温でのXe吸着現象 / 電解質膜 / 白金触媒 / ハイドログラフェン / 水素吸蔵 / 電池 Less

The use of particle swarm optimization for accelerating analyses of chemical reactions inside low-dimensional nanospacePrincipal Investigator
- Principal Investigator
  
  湯村尚史
- Project Period (FY)
  2024 – 2026
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 28:Nano/micro science and related fields
- Research Institution
  Kyoto Institute of Technology
Controlling molecular orientation of Stilbene-derivatives by utilizing one-dimensional nano space: Toward constructing novel wavelength-conversion devicesPrincipal Investigator
- Principal Investigator
  
  Yumura Takashi
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 28010:Nanometer-scale chemistry-related
- Research Institution
  Kyoto Institute of Technology
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Principal Investigator
- Principal Investigator
  
  湯村尚史
- Project Period (FY)
  2015 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto Institute of Technology
Designing visible-response switches based on carbon nanotubes containing pi-conjugated moleculesPrincipal Investigator
- Principal Investigator
  
  Yumura Takashi
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Nanostructural chemistry
- Research Institution
  Kyoto Institute of Technology
Theoretical study on elucidation of the mechanism of oxygen reduction reaction and development of carbon alloy electrodes.
- Principal Investigator
  
  KOBAYASHI Hisayoshi
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Catalyst/Resource chemical process
- Research Institution
  Kyoto Institute of Technology
Utilization of Inner Space of Carbon Nanotube for Designing Functionalized CatalystsPrincipal Investigator
- Principal Investigator
  
  YUMURA Takashi
- Project Period (FY)
  2010 – 2012
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Nanostructural science
- Research Institution
  Kyoto Institute of Technology
新規Xe化合物の合成と新しいXe無機化学の開拓
- Principal Investigator
  
  黒田泰重
- Project Period (FY)
  2009 – 2010
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Inorganic chemistry
- Research Institution
  Okayama University
A Study for Intensive Decrease of the Amount of Pt/c Catalyst in Polymer Electrolyte Fuel Cell (PEFC) by using Dot Matrix or Porous Nano-Carbon
- Principal Investigator
  
  TOKIO Yamabe
- Project Period (FY)
  2008 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Functional materials/Devices
- Research Institution
  Nagasaki Institute of Applied Science
Design of Nanopeapod-based Devices by Controlling Binding Sites of Encaged Metal AtomsPrincipal Investigator
- Principal Investigator
  
  YUMURA Takashi
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (Start-up)
- Research Field
  
  Nanostructural science
- Research Institution
  Kyoto Institute of Technology

[Book] Enzymatic Methane Hydroxylation: sMMO & pMMO: A Review (Chapter 3 in Direct Hydroxylation of Methane edited by Yoshizawa K.) )2020
- Author(s)
  Yumura, T.; Ohta, Y.; Yoshizawa, K.
- Total Pages
  29
- Publisher
  Springer
- ISBN
  9789811569869
- Data Source
  KAKENHI-PROJECT-18K04864
[Book] Modeling of Chemical Reactivity of Carbon Nanotubes: A Review" Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends (Springer)2012
- Author(s)
  Yumura, T.; Kertesz
- Publisher
  Leszcynski, J. and Shukla, M. K.Trends (Springer)
- Data Source
  KAKENHI-PROJECT-22710088
[Book] Modeling of Chemical Reactivity of Carbon Nanotubes : A Review2012
- Author(s)
  Yumura, T., Kertesz, M.
- Publisher
  Practical Aspects of Computational Chemistry II : An Overview of the Last Two Decades and Current Trends (Springer)(印刷中)
- Data Source
  KAKENHI-PROJECT-22710088
[Book] Carbon Nanotubes/Book 5 (InTech-Open Access Publisher)2011
- Author(s)
  Yumura, T.
- Total Pages
  20
- Publisher
  A Density Functional Theory Study of Chemical Functionalization of Carbon Nanotubes ; Toward Site Selective Functionalization Carbon Nanotube(印刷中)
- Data Source
  KAKENHI-PROJECT-22710088
[Book] A Density Functional Theory Study of Chemical Functionalization of Carbon Nanotubes -Toward Site Selective Functionalization2011
- Author(s)
  Yumura, T
- Publisher
  Marulanda, J. M
- Data Source
  KAKENHI-PROJECT-22710088
[Book] A Density Functional Theory Study of Chemical Functionalization of Carbon Nanotubes; Toward Site Selective Functionalization Carbon Nanotube. In Electronic Properties of Carbon Nanotubes2011
- Author(s)
  Yumura, Takashi
- Total Pages
  680
- Publisher
  Intech
- Data Source
  KAKENHI-PROJECT-23560934
[Book] Density Functional Theory Studies on Chemical Reactions in Nanocarbon Materials2008
- Author(s)
  T. Yumura
- Data Source
  KAKENHI-PROJECT-19810011
[Book] Density Functional Theory Studies on Fullerenes and Nanotubes2008
- Author(s)
  Takashi Yumura
- Total Pages
  23
- Publisher
  Density Functional Theory Studies on Chemical Reactions in Nanocarbon Materials
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli- responsive Au(I)-Cu(I) double salts2021
- Author(s)
  Kobayashi, R.; Yumura, T.; Imoto, H.; Naka, K.
- Journal Title
  
  Chemical Communication
  
  Volume: - Issue: 44 Pages: 5382-5385
- DOI
  10.1039/d1cc01316e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04864, KAKENHI-PROJECT-20H02812
[Journal Article] Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors2021
- Author(s)
  Sumida Akifumi、Kobayashi Ryosuke、Yumura Takashi、Imoto Hiroaki、Naka Kensuke
- Journal Title
  
  Chemical Communications
  
  Volume: 57 Issue: 16 Pages: 2013-2016
- DOI
  10.1039/d0cc07191a
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H04577, KAKENHI-PROJECT-20H02812, KAKENHI-PROJECT-18K04864
[Journal Article] Dithieno[3,4-b:3',4'-d]arsole: A Novel Class of Hetero[5]radialenes2020
- Author(s)
  Urushizaki Aya、Yumura Takashi、Kitagawa Yuichi、Hasegawa Yasuchika、Imoto Hiroaki、Naka Kensuke
- Journal Title
  
  European Journal of Organic Chemistry
  
  Volume: 2020 Issue: 26 Pages: 3965-3970
- DOI
  10.1002/ejoc.202000442
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H04556, KAKENHI-PUBLICLY-19H04577, KAKENHI-PROJECT-20H02748, KAKENHI-PROJECT-20H02812, KAKENHI-PROJECT-18K04864
[Journal Article] Energetics of Hybrid Structures between Cycloparaphenylene and Carbon Nanotubes: A Dispersion-corrected Density Functional Theory Study2020
- Author(s)
  Yumura, T.; Miki, R.;Fukuwura, S.; Yamamoto, W.
- Journal Title
  
  Journal Physical Chemistry C
  
  Volume: 124 Issue: 32 Pages: 17836-17847
- DOI
  10.1021/acs.jpcc.0c05485
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04864
[Journal Article] Systematic Study on the Catalytic Arsa‐Wittig Reaction2020
- Author(s)
  Inaba Ryoto、Kawashima Ikuo、Fujii Toshiki、Yumura Takashi、Imoto Hiroaki、Naka Kensuke
- Journal Title
  
  Chemistry - A European Journal
  
  Volume: 26 Issue: 59 Pages: 13400-13407
- DOI
  10.1002/chem.202002792
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H04577, KAKENHI-PROJECT-20H02812, KAKENHI-PROJECT-18K04864
[Journal Article] Construction of a Bidentate Arsenic Ligand Library Starting from a Cyclooligoarsine2019
- Author(s)
  Imoto, H.; Konishi, M.; Nishiyama, S.; Sasaki, H.; Yumura, T. Naka, K.
- Journal Title
  
  Chemistry Letters
  
  Volume: 48 Issue: 11 Pages: 1312-1315
- DOI
  10.1246/cl.190540
- NAID
  130007741793
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04864, KAKENHI-PUBLICLY-19H04577, KAKENHI-PROJECT-18J15167
[Journal Article] Transition-Metal-Catalyzed Direct Arylation of Caged Silsesquioxanes: Substrate Scope and Mechanistic Study2019
- Author(s)
  Imoto Hiroaki、Wada Satoshi、Yumura Takashi、Naka Kensuke
- Journal Title
  
  European Journal of Inorganic Chemistry
  
  Volume: 印刷中 Issue: 16 Pages: 2202-2207
- DOI
  10.1002/ejic.201900126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K14530, KAKENHI-PROJECT-18K04864, KAKENHI-PROJECT-18K19114
[Journal Article] Why Interlayer Spacing of Nanopore Carbon Materials Determines the Preferred Solvated States of Alkaline Cation: A Density Functional Theory Calculation Study2019
- Author(s)
  Yumura, T.; Ishikura, M.; Urita, K.
- Journal Title
  
  The Journal Physical Chemistry C
  
  Volume: 123 Issue: 35 Pages: 21457-21466
- DOI
  10.1021/acs.jpcc.9b03568
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04864
[Journal Article] Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching of Luminescence and Porosity2019
- Author(s)
  Sasaki, H.; Imoto, H.; Kitao, T.; Uemura, T.; Yumura, T.; Naka, K.
- Journal Title
  
  Chemical Communication
  
  Volume: 55 Issue: 46 Pages: 6487-6490
- DOI
  10.1039/c9cc02309g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04864, KAKENHI-PUBLICLY-19H04577
[Journal Article] Kinetic Control in the Alignment of Polar π-Conjugated Molecules inside Carbon Nanotubes2018
- Author(s)
  Yumura Takashi、Yamamoto Wataru
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 122 Issue: 31 Pages: 18151-18160
- DOI
  10.1021/acs.jpcc.8b05455
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04864
[Journal Article] As-Heteropentacenes: An Experimental and Computational Study on a Novel Class of Heteroacenes2018
- Author(s)
  Imoto Hiroaki、Fujii Toshiki、Tanaka Susumu、Yamamoto Shunsuke、Mitsuishi Masaya、Yumura Takashi、Naka Kensuke
- Journal Title
  
  Organic Letters
  
  Volume: 20 Issue: 18 Pages: 5952-5955
- DOI
  10.1021/acs.orglett.8b02660
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K04864, KAKENHI-PUBLICLY-17H05369, KAKENHI-PROJECT-18J15167
[Journal Article] Room-Temperature Activation of the C?H Bond in Methane over Terminal ZnII?Oxyl Species in an MFI Zeolite: A Combined Spectroscopic and Computational Study of the Reactive Frontier Molecular Orbitals and Their Origins2018
- Author(s)
  Oda Akira、Ohkubo Takahiro、Yumura Takashi、Kobayashi Hisayoshi、Kuroda Yasushige
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 58 Issue: 1 Pages: 327-338
- DOI
  10.1021/acs.inorgchem.8b02425
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04864
[Journal Article] A Computational Approach to Design Enzyme Mimicking Catalysts by Utilizing Copper Containing Zeolites2017
- Author(s)
  湯村尚史
- Journal Title
  
  ゼオライト
  
  Volume: 34 Issue: 2 Pages: 57-65
- DOI
  10.20731/zeoraito.34.2.57
- NAID
  40021183026
- ISSN
  0918-7774
- Year and Date
  2017-04-15
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-15H00941, KAKENHI-PROJECT-26790001
[Journal Article] Utilizing Super-atom Orbital Ideas to Understand Properties of Silver Clusters inside ZSM-5 Zeolite2017
- Author(s)
  Yumura, T.; Kumondai, M.; Wakasugi, T.; Kuroda, Y.; Kobayashi, H.
- Journal Title
  
  RSC Advances
  
  Volume: 7 Issue: 9 Pages: 4950-4959
- DOI
  10.1039/c6ra26492a
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PUBLICLY-15H00941, KAKENHI-PROJECT-16H04118, KAKENHI-PROJECT-26790001
[Journal Article] Oligoamylose-Twinned Porphyrin: Excited-State Induced Fit for Chirality Induction2016
- Author(s)
  Morisue, M.; Yumura, T.; Sawada, R.; Naito, M.; Kuroda, Y.; Chujo, Y.
- Journal Title
  
  Chem. Commun.
  
  Volume: 52 Issue: 12 Pages: 2481-2484
- DOI
  10.1039/c5cc08488a
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26790001, KAKENHI-PUBLICLY-15H00741, KAKENHI-PUBLICLY-15H00941
[Journal Article] Solid-State Emission of Platinum Dihalide Complexes with 9-Phenyl-9-Arsafluorene2016
- Author(s)
  Imoto, H.; Tanaka, S.; Kato, T.; Watase, S.; Matsukawa, K.; Yumura, T.; Naka, K.
- Journal Title
  
  Organometallics
  
  Volume: 35 Issue: 3 Pages: 364-369
- DOI
  10.1021/acs.organomet.5b00944
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26790001, KAKENHI-PUBLICLY-15H00771, KAKENHI-PUBLICLY-15H00941, KAKENHI-PLANNED-24102003, KAKENHI-PLANNED-24102010
[Journal Article] Roles of Water Molecules in Modulating the Reactivity of Dioxygen-bound Cu–ZSM-5 toward Methane: A Theoretical Prediction2016
- Author(s)
  Yumura, T.; Hirose, Y.; Wakasugi, T.; Kuroda, Y.; Kobayashi, H.
- Journal Title
  
  ACS Catalysis
  
  Volume: 6 Issue: 4 Pages: 2487-2495
- DOI
  10.1021/acscatal.5b02477
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26790001, KAKENHI-PUBLICLY-15H00941
[Journal Article] Combination of Solid State NMR and DFT Calculation to Elucidate the State of sodium and lithium in Hard Carbon Electrodes2016
- Author(s)
  Morita, R.; Gotoh, K.; Fukunishi, M.; Kubota, K.; Komaba, S.; Nishimura, N.; Yumura, T.; Deguchi, K.; Ohki, S.; Shimizu, T.; Ishida, H
- Journal Title
  
  Journal Material Chemistry A
  
  Volume: 4 Issue: 34 Pages: 13183-13193
- DOI
  10.1039/c6ta04273b
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-15H00941, KAKENHI-PROJECT-26790001, KAKENHI-PROJECT-26870385
[Journal Article] One-dimensional nanowires of aluminum monohydroxide-pseudoboehmite ganma-AlO(OH)2016
- Author(s)
  Iijima, S.; Yumura, T.; Liu, Z.
- Journal Title
  
  Proceedings of the National Academy of Sciences of the United States of America
  
  Volume: 113 Issue: 42 Pages: 111759-111764
- DOI
  10.1073/pnas.1614059113
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-15H00941, KAKENHI-PLANNED-25107003, KAKENHI-PROJECT-26790001
[Journal Article] Molecular shape recognition by using a switchable luminescent nonporous molecular crystal2016
- Author(s)
  Hiroaki Imoto, Susumu Tanaka, Takuji Kato, Takashi Yumura, Seiji Watase, Kimihiro Matsukawa, Kensuke Naka
- Journal Title
  
  Organometallics
  
  Volume: 35 Issue: 21 Pages: 3647-3650
- DOI
  10.1021/acs.organomet.6b00614
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-15H00771, KAKENHI-PUBLICLY-15H00941, KAKENHI-PLANNED-24102003, KAKENHI-PLANNED-24102010, KAKENHI-PROJECT-26790001, KAKENHI-PROJECT-16K05903
[Journal Article] Group 14 Dithienometallole-Linked Ethynylene-Conjugated Porphyrin Dimers2016
- Author(s)
  Mitsuhiko Morisue,* Yuki Hoshino, Masashi Nakamura, Takashi Yumura, Shinjiro Machida, Yousuke Ooyama, Masaki Shimizu, Joji Ohshita
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 55 Issue: 15 Pages: 7432-7441
- DOI
  10.1021/acs.inorgchem.6b00667
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-15H00741, KAKENHI-PUBLICLY-15H00941, KAKENHI-PROJECT-26790001, KAKENHI-PROJECT-16K05749
[Journal Article] Key Factors in Determining Arrangements of pi conjugated oligomers inside Carbon Nanotubes2015
- Author(s)
  Yumura, T.; Yamashita, H.
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 17 Issue: 35 Pages: 22668-22677
- DOI
  10.1039/c5cp03433g
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26790001
[Journal Article] Roles of Water Molecules in Preventing CO2 From Migrating between Graphene Oxide Layers2014
- Author(s)
  Yumura, T.; Yamasaki, A.
- Journal Title
  
  Physical Chemistry Chemical Physics.
  
  Volume: 16 Issue: 20 Pages: 9656-9666
- DOI
  10.1039/c4cp00658e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26790001
[Journal Article] Modulating the Electronic Properties of Multimeric Thiophene Oligomers by Utilizing Carbon 　 Nanotube Confinement2014
- Author(s)
  Yumura, T.; Yamashita, H.
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 118 Issue: 10 Pages: 5510-5522
- DOI
  10.1021/jp5006555
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23560934, KAKENHI-PROJECT-26790001
[Journal Article] Combined Experimental and Computational Approaches To Elucidate the Structures of Silver Clusters inside the ZSM-5 Cavity2014
- Author(s)
  T. Yumura, A. Oda, H. Torigoe, A. Itadani, Y. Kuroda, T. Wakasugi, and H. Kobayashi
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 118 Issue: 41 Pages: 23874-23887
- DOI
  10.1021/jp508150w
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-13J06974, KAKENHI-PROJECT-26790001
[Journal Article] An Important Factor in CH4 Activation by Zn Ion in Comparison with Mg Ion in MFI:The Superior Electron-Accepting Nature of Zn2+2014
- Author(s)
  A. Oda, H. Torigoe, A. Itadani, T. Ohkubo, T. Yumura, H. Kobayashi, and Y. Kuroda
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 118 Issue: 28 Pages: 15234-15241
- DOI
  10.1021/jp5013413
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-13J06974, KAKENHI-PROJECT-26790001
[Journal Article] 表面における計算科学 (1)軌道概念をもちいて2013
- Author(s)
  湯村尚史
- Journal Title
  
  色材協会誌 "最新表面科学講座"
  
  Volume: 24-12-2
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] 表面における計算科学 (2)密度汎関数法 (第一原理計算)2013
- Author(s)
  湯村尚史
- Journal Title
  
  色材協会誌"最新表面科学講座"
  
  Volume: 24-12-3
- NAID
  130004516234
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] 表面における計算科学 (2)　密度汎関数法 (第一原理計算)2013
- Author(s)
  湯村尚史
- Journal Title
  
  色材協会誌　“最新表面科学講座”
  
  Volume: なし
- NAID
  130004516234
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] 表面における計算科学 (1)　軌道概念をもちいて2013
- Author(s)
  湯村尚史
- Journal Title
  
  色材協会誌　“最新表面科学講座”
  
  Volume: なし
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Energetics of dioxygen binding into graphene patches with various sizes and shapes2012
- Author(s)
  Takashi Yumura, Hisayoshi Kobayashi, and Tokio Yamabe
- Journal Title
  
  Science China-Chemistry
  
  Volume: 55(5) Pages: 787-795
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23560934
[Journal Article] Energetics of Dioxygen Binding into Graphene Patches with Various Sizes and Shapes2012
- Author(s)
  Yumura, T.; Kobayashi, H.; Yamabe, T.
- Journal Title
  
  Science China-Chemistry
  
  Volume: 55 Issue: 5 Pages: 787-795
- DOI
  10.1007/s11426-012-4508-y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088, KAKENHI-PROJECT-23560934
[Journal Article] Platinum Clusters on Vacancy-type Defects of Nanometer-sized Graphene Patches2012
- Author(s)
  Yumura, T.; Awano, T.; Kobayashi, H.;Yamabe, T.
- Journal Title
  
  Molecules
  
  Volume: 17 Issue: 7 Pages: 7941-7960
- DOI
  10.3390/molecules17077941
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088, KAKENHI-PROJECT-23560934
[Journal Article] Energetics of Dioxygen Binding into Graphene Patches with Various Sizes and Shapes2012
- Author(s)
  Yumura, T., et al
- Journal Title
  
  Science China Chemistry
  
  Volume: 55(印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Unprecedented Reversible Redox Process in the ZnMFI-H_2 System Involving Formation of Stable Atomic Zn^02012
- Author(s)
  Oda, A. ; Torigoe, H.; et al.
- Journal Title
  
  Angew. Chem. Int. Ed.
  
  Volume: 51 Issue: 31 Pages: 7719-7723
- DOI
  10.1002/anie.201201000
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-10J04368, KAKENHI-PROJECT-22710088, KAKENHI-PROJECT-24750128
[Journal Article] Platinum Clusters on Vacancy-Type Defects of Nanometer-Sized Graphene Patches2012
- Author(s)
  Takashi Yumura, Tatsuya Awano, Hisayoshi Kobayashi and Tokio Yamabe
- Journal Title
  
  Molecules
  
  Volume: 17 Pages: 7941-7960
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23560934
[Journal Article] Properties of Reaction Intermediates from Unzipping Nanotubes via the Diketone Formation: A Computational Study2012
- Author(s)
  Yumura, T.; Kanemitsu, T.
- Journal Title
  
  Journal of Nanomaterials
  
  Volume: 2012 Issue: 1
- DOI
  10.1155/2012/612672
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] The Role of Weak Bonding in Determining the Structure of Thiophene Oligomers inside Carbon Nanotubes2012
- Author(s)
  Yamashita, H.; Yumura, T.
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 116 Issue: 17 Pages: 9681-9690
- DOI
  10.1021/jp301972e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088, KAKENHI-PROJECT-23560934
[Journal Article] Dual-Copper Catalytic Site Formed in CuMFI Zeolite Makes Effective Activationof Ethane Possible Even at Room Temperature.2012
- Author(s)
  Itadani, A. ; Torigoe, H.;, et al.
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 116 Issue: 19 Pages: 10680-10691
- DOI
  10.1021/jp3022858
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-10J04368, KAKENHI-PROJECT-22710088, KAKENHI-PROJECT-24750128
[Journal Article] Chemically Reactive Species Remain Alive inside Carbon Nanotubes : A Density Functional Theory Study2011
- Author(s)
  Yumura, T.
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 13 Pages: 337-346
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Chemically Reactive Species Remain Alive inside Carbon Nanotubes: A Density Functional Theory Study2011
- Author(s)
  Yumura, T.
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 13 Issue: 1 Pages: 337-346
- DOI
  10.1039/c0cp00796j
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Behavior of Ag3 Clusters inside a Nanometer-sized Space of ZSM-5 Zeolite2011
- Author(s)
  Yumura, T.; Nanba, T.; Torigoe, H.; Kuroda,Y.; Kobayashi, H.
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 50 Issue: 14 Pages: 6533-6542
- DOI
  10.1021/ic2001514
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088, KAKENHI-PROJECT-23560934
[Journal Article] The Variety of Carbon-Metal Bonds inside Cu-ZSM-5 Zeolites : A Density Functional Theory Study2010
- Author(s)
  T.Yumura, S.Hasegawa, A.Itadani, H.Kobayashi, Y.Kuroda
- Journal Title
  
  Materials
  
  Volume: 3 Pages: 2516-2535
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655021
[Journal Article] Site-specific Xe additions into Cu-ZSM-5 Zeolite2010
- Author(s)
  Takashi Yumura, Hiroki Yamashita, Hiroe Torigoe, Hisayoshi Kobayashi, Yasushige Kuroda
- Journal Title
  
  Phys. Chem. Chem. Phys. 12
  
  Pages: 2392-2400
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655021
[Journal Article] 1,4-Dihydro-1,4-diarsinine-Bridged Dinuclear trans-Dihaloplatinum(II) Complexes: Synthesis and Controlled Pt-Pt interaction by Halogen Substitution Induced Conformational Change2010
- Author(s)
  Arita, M.; Naka, K.; Shimamoto, T.;Yumura, T.; Nakahashi, A.; Morisaki, Y.; Chujo,Y.:
- Journal Title
  
  Organometallics
  
  Volume: 29 Issue: 21 Pages: 4992-5003
- DOI
  10.1021/om100201x
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Roles of Radical Characters of Pristine and Nitrogen-substituted Hydrographene in Dioxygen Bindings2010
- Author(s)
  Yumura, T.; Kobayashi, H.; Yamabe, T.:
- Journal Title
  
  The Journal Chemical Physics
  
  Volume: 133 Issue: 17 Pages: 174703-174703
- DOI
  10.1063/1.3497649
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Existence of Dual Species Composed of Cu+ in CuMFI Being Bridged by C2H22010
- Author(s)
  Itadani, A.; Yumura, T.; Ohkubo, T.;Kobayashi, H.; Kuroda, Y.:
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 12 Issue: 24 Pages: 6455-6465
- DOI
  10.1039/c000967a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] The Variety of Carbon-Metal Bonds inside Cu-ZSM-5 Zeolites: A Density Functional Theory Study2010
- Author(s)
  Yumura, T.; Hasegawa, S.; Itadani, A.;Kobayashi, H.; Kuroda, Y.:
- Journal Title
  
  Materials
  
  Volume: 3 Issue: 4 Pages: 2516-2535
- DOI
  10.3390/ma3042516
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] The Variety of Carbon-Metal Bonds Formed inside ZSM-5 Zeolite : A Density Functional Theory Study2010
- Author(s)
  Yumura, T., et al.
- Journal Title
  
  Materials
  
  Volume: 3 Pages: 2516-2535
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] The Variety of Carbon-Metal Bonds inside Cu-ZSM-5 Zeolites : A Density Functional Theory Study2010
- Author(s)
  Takashi Yumura, Saki Hasegawa, Atsushi Itadani, Hisayoshi Kobayashi, Yasushige Kuroda
- Journal Title
  
  Materials 3(in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655021
[Journal Article] Direct Information on Structure and Energetic Features of Cu^+-Xe Species Formed in MFI-Type Zeolite at Room Temperature2010
- Author(s)
  H.Torigoe, T.Mori, K.Fujie, T.Ohkubo, A.Itadani, K.Gotoh, H.Ishida, H.Yamashita, T, Yumura, H.Kobayashi, Y.Kuroda
- Journal Title
  
  J.Phys.Chem.Letters
  
  Volume: 1 Pages: 2642-2650
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655021
[Journal Article] Direct Information on Structure and Energetic Features of Cu Xe Species Formed in MFI-Type Zeolite at Room Temperature2010
- Author(s)
  Torigoe, H.; Mori, T.; Fujie, K.; Ohkubo, T.;Itadani, A.; Gotoh, K.; Ishida, H.; Yamashita, H.;Yumura, T.; Kobayashi, H.; Kuroda, Y.:
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 1 Issue: 18 Pages: 2642-2650
- DOI
  10.1021/jz100838c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Roles of Radical Characters of Pristine and Nitrogen-substituted Hydrographene in Dioxygen Bindings2010
- Author(s)
  Yumura, T.; Kobayashi, H.; Yamabe, T.
- Journal Title
  
  Journal Chemical Physics
  
  Volume: 133 Pages: 174703-174703
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Roles of Quarternary Nitrogen Impurities of Nanometer-size Hydro-Graphene in Oxygen Bindings2010
- Author(s)
  T.Yumura, H.Kobayashi, T.Yamabe
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: Vol.133 Pages: 174703-174703
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350089
[Journal Article] Existence of dual species composed of Cu^+ in CuMFI being bridged by C2H22010
- Author(s)
  A.Itadani, T.Yumura, T.Ohkubo, H.Kobayashi, Y.Kuroda
- Journal Title
  
  Phys.Chem.Chem.Phys.
  
  Volume: 12 Pages: 6455-6465
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655021
[Journal Article] Site-specific Xe Additions into Cu-ZSM-5 Zeolite2010
- Author(s)
  T.Yumura, H.Yamashita, H.Torigoe, H.Kobayashi, Y, Kuroda
- Journal Title
  
  Phys.Chem.Chem.Phys., 2010, 12, 2392-2400
  
  Volume: 12 Pages: 2392-2400
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21655021
[Journal Article] Roles of Quarternary Nitrogen Impurities of Nanometer-size Hydro-Graphene in Oxygen Bindings2010
- Author(s)
  T.Yumura, H.Kobayashi, T.Yamabe
- Journal Title
  
  J.Chem.Phys. 133
  
  Pages: 104703-104703
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350089
[Journal Article] Site-specific Xe Additions into Cu-ZSM-5 Zeolite2010
- Author(s)
  Yumura, T.; Yamashita, H.; Torigoe, H.;Kobayashi, H.; Kuroda, Y.:
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 12 Issue: 10 Pages: 2932-2400
- DOI
  10.1039/b919032e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Site-specific Xe Additions into Cu-ZSM-5 Zeolite2010
- Author(s)
  Yumura, T., et al.
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 12 Pages: 2392-2400
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22710088
[Journal Article] Confinement Effects of ZSM-5 Zeolite on the Dioxygen Activation by Enclosed Dicopper Cations2009
- Author(s)
  T. Yumura, M. Takeuchi, H. Kobayashi, and Y, Kuroda
- Journal Title
  
  Inorg. Chem 48
  
  Pages: 508-517
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] Potential for C-H activation in CH_4 utilizing CuMFI-type Zeolite as a Catalyst2009
- Author(s)
  A. Itadani, H. Sugiyama, M. Tanaka, T. Ohkubo, T. Yumura, H. Kobayashi, and Y. Kuroda
- Journal Title
  
  J. Phys. Chem. C 113
  
  Pages: 7213-7222
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] Confinement Effects of ZSM-5 Zeolite on the Dioxygen Activation by Enclosed Dicopper Cations.2009
- Author(s)
  T. Yumura, et al.
- Journal Title
  
  Inorganic Chemistry 48
  
  Pages: 508-517
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] The Use of Nanometer-sized Hydrographene Species as Support Material for Fuel Cell Electrode Catalysts : A Theoretical Proposal2009
- Author(s)
  K.Yumura, K.Kimura, H.Kobayashi, R.Tanaka, N.Okumura, T.Yamabe
- Journal Title
  
  Physical Chemistry Chemical Physics Vol.11
  
  Pages: 8275-8284
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350089
[Journal Article] The Use of Nanometer-sized Hydrographene Species as Support Material for Fuel Cell Electrode Catalysts : A Theoretical Proposal2009
- Author(s)
  K.Yumura, K.Kimura, H.Kobayashi, R.Tanaka, N.Okumura, T.Yamabe
- Journal Title
  
  Physical Chemistry Chemical Physics 11
  
  Pages: 8275-8284
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350089
[Journal Article] 大規模量子化学計算による新規ナノ炭素材料設計2007
- Author(s)
  湯村尚史
- Journal Title
  
  京都工芸繊維大学情報科学センター広報 26
  
  Pages: 6-10
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] 大規模量子化学計算による新規ナノ炭素材料設計2007
- Author(s)
  湯村尚史
- Journal Title
  
  京都工芸繊維大学情報科学センター広報 26
  
  Pages: 6-10
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] Confinement Effects on Site Preferences for Cycloadditions into Carbon Nanotubes2007
- Author(s)
  Takashi Yumura, et. al.
- Journal Title
  
  Chemical Physics Letters 444
  
  Pages: 155-160
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] Confinement Effects on Site Preferences for Cycloadditions into Carbon Nanotubes2007
- Author(s)
  T. Yumura, M. Kertesz, and S. Iijima
- Journal Title
  
  Chem.Phys.Lett. 444
  
  Pages: 155-160
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19810011
[Journal Article] The use of Nanometer-sized Hydrographene Species as Support Material for Fuel Cell Electrode Catalysts : A Theoretical Proposal
- Author(s)
  T. Yumura, K. Kimura, R. Tanaka, N. Okumura, T. Yamabe
- Journal Title
  
  Phys. Chem. Chem. Phys. accepted for publication
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] 量子化学計算を用いた機能性ナノ材料創製2020
- Author(s)
  湯村尚史
- Organizer
  名城大学理工学部　応用化学セミナー
- Invited
- Data Source
  KAKENHI-PROJECT-18K04864
[Presentation] カーボンナノチューブ内部のトリヨードベンゼン集合体の分子配向に関する理論的研究2019
- Author(s)
  三木涼平，湯村尚史
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K04864
[Presentation] Controlling properties of π-conjugated molecules inside carbon nanotubes by tuning inner molecular alignments2018
- Author(s)
  Takashi Yumura
- Organizer
  1st International Symposium of Soft Molecular Activation Research Center (SMARC)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K04864
[Presentation] ZSM-5 ゼオライト内部で生成する金クラスターの特性に関する密度汎関数法計算2017
- Author(s)
  吉川里奈、湯村尚史、公文代充弘、若杉　隆
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶應義塾大学
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] 二層グラファイト中のアルカリイオンの溶媒和構造に関する密度汎関数法計算2017
- Author(s)
  石倉真璃絵・西村直人・湯村尚史・若杉隆
- Organizer
  日本化学会第97春季年会 (2017)
- Place of Presentation
  慶應義塾大学
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] 窒素含有鉄オキソ錯体を触媒とするアルカンC-H結合活性化に関する密度汎関数法計算2017
- Author(s)
  松井美咲、湯村尚史、若杉　隆、人見　穣、塩田淑仁、吉澤一成
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  慶應義塾大学
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] カーボンナノチューブ内部空間におけるジメチルアミノニトロスチルベンの非線形光学特性に関する密度汎関数法計算2017
- Author(s)
  山本航・湯村尚史・若杉隆
- Organizer
  日本化学会第97春季年会 (2017)
- Place of Presentation
  慶應義塾大学
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] カーボンナノチューブ内部空間におけるジメチルアミノニトロスチルベンの配向に関する密度汎関数法計算2016
- Author(s)
  山本航・湯村尚史・若杉隆
- Organizer
  日本化学会第96春季年会 (2016)
- Place of Presentation
  同志社大学
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] 二酸化炭素の捕捉における二層酸化グラフェンの活用2016
- Author(s)
  湯村尚史, 山崎愛弓
- Organizer
  第50回フラーレン・ナノチューブ・グラフェン総合シンポジウム
- Place of Presentation
  東京大学
- Year and Date
  2016-02-20
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] ゼオライトに内包される銀クラスターと酸素分子との相互作用に関する量子化学計算2016
- Author(s)
  公文代充弘・織田晃・湯村尚史・若杉隆・黒田泰重・小林久芳
- Organizer
  日本化学会第96春季年会 (2016)
- Place of Presentation
  同志社大学
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] 二酸化炭素の捕捉における二層酸化グラフェンの活用2016
- Author(s)
  湯村尚史, 山崎愛弓
- Organizer
  第50回フラーレン・ナノチューブ・グラフェン総合シンポジウム
- Place of Presentation
  東京大学
- Year and Date
  2016-02-20
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] 窒素含有鉄オキソ錯体を触媒とするメタンC-H結合活性化に関する速度論的考察2016
- Author(s)
  松井美咲、湯村尚史、若杉　隆、人見　穣、塩田淑仁、吉澤一成
- Organizer
  錯体化学会第66回討論会
- Place of Presentation
  福岡大学
- Year and Date
  2016-09-10
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] 炭素表面上におけるアルカリ金属原子の安定配置に関する密度汎関数法計算2016
- Author(s)
  西村直人・湯村尚史・若杉隆
- Organizer
  日本化学会第96春季年会 (2016)
- Place of Presentation
  同志社大学
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] 炭素表面上におけるアルカリ金属原子の安定配置に関する密度汎関数法計算2016
- Author(s)
  西村直人・湯村尚史・若杉隆
- Organizer
  日本化学会第96春季年会 (2016)
- Place of Presentation
  同志社大学
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] カーボンナノチューブ内部空間におけるジメチルアミノニトロスチルベンの配向に関する密度汎関数法計算2016
- Author(s)
  山本航・湯村尚史・若杉隆
- Organizer
  日本化学会第96春季年会 (2016)
- Place of Presentation
  同志社大学
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] 窒素含有鉄錯体を触媒とするメタンの活性化に関する量子化学計算2016
- Author(s)
  松井美咲・湯村尚史・若杉隆
- Organizer
  日本化学会第96春季年会 (2016)
- Place of Presentation
  同志社大学
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] 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2015
- Author(s)
  湯村尚史
- Organizer
  第116回触媒討論会
- Place of Presentation
  三重大学
- Year and Date
  2015-09-16
- Invited
- Data Source
  KAKENHI-PUBLICLY-15H00941
[Presentation] 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2015
- Author(s)
  湯村尚史
- Organizer
  第116回触媒討論会
- Place of Presentation
  三重大学
- Year and Date
  2015-09-16
- Invited
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] 二酸化炭素を捕捉したグラフェンオキサイドの構造特性に関する密度汎関数計算2013
- Author(s)
  山崎　愛弓・湯村　尚史・小林　久芳
- Organizer
  日本化学会第93春季年会 (2013)
- Place of Presentation
  立命館大学　(南草津）
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] イモゴライト内部表面と二酸化炭素との相互作用に関する密度汎関数法計算2013
- Author(s)
  伊藤　優・湯村　尚史・小林　久芳
- Organizer
  日本化学会第93春季年会 (2013)
- Place of Presentation
  立命館大学　(南草津）
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] カーボンナノチューブ内部チオフェンオリゴマー間に働く鎖間相互作用2013
- Author(s)
  湯村尚史・山下裕生
- Organizer
  日本化学会第93 春季年会
- Place of Presentation
  立命館大学(南草津)
- Year and Date
  2013-03-24
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] 二酸化炭素を捕捉したグラフェンオキサイドの構造特性に関する密度汎関数計算2013
- Author(s)
  山崎愛弓・湯村尚史・小林久芳
- Organizer
  日本化学会第93 春季年会
- Place of Presentation
  立命館大学(南草津)
- Year and Date
  2013-03-22
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] イモゴライト内部表面と二酸化炭素との相互作用に関する密度汎関数法計算2013
- Author(s)
  伊藤優・湯村尚史・小林久芳
- Organizer
  日本化学会第93春季年会
- Place of Presentation
  立命館大学(南草津)
- Year and Date
  2013-03-24
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] カーボンナノチューブ内部チオフェンオリゴマー間に働く鎖間相互作用2013
- Author(s)
  湯村　尚史・山下　裕生
- Organizer
  日本化学会第93春季年会 (2013)
- Place of Presentation
  立命館大学　(南草津）
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] カーボンナノチューブホストとチオフェンオリゴマーとの相互作用における弱い力の重要性2012
- Author(s)
  山下裕生、湯村尚史、小林久芳
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  慶應義塾大学(横浜)
- Year and Date
  2012-03-25
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Electronic Properties of Nanometer-sized Hydrographene Species And Their Use for Dioxygen Activation2012
- Author(s)
  Yumura T., Kobayashi H., Yamabe T.
- Organizer
  Carbon 2012
- Place of Presentation
  Auditorium Maximum, (Krakow, Poland)
- Year and Date
  2012-06-19
- Data Source
  KAKENHI-PROJECT-23560934
[Presentation] カーボンナノチューブホストとチオフェンオリゴマーとの相互作用における弱い力の重要性2012
- Author(s)
  山下裕生・湯村尚史・小林久芳
- Organizer
  日本化学会第92 春季年会
- Place of Presentation
  慶應義塾大学 (横浜).
- Year and Date
  2012-03-25
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Introduction of Vacancy-type Defect to Graphene Enhances the Interactions with Platinum Cluster2012
- Author(s)
  Yumura, T.; Awano, T.; Kobayashi, H.;Yamabe, T.:
- Organizer
  International Conference on Science and Technology of Synthetic Metal (ICSM) 2012
- Place of Presentation
  Hyatt Regency Atlanta (Georgia, USA).
- Year and Date
  2012-07-10
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Electronic Properties of Nanometer-sized Hydrographene Species And Their Use for Dioxygen Activation2012
- Author(s)
  Yumura, T.; Kobayashi, H.; Yamabe, T.:
- Organizer
  Carbon 2012
- Place of Presentation
  Auditorium Maximum, (Krakow,Poland).
- Year and Date
  2012-06-19
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] ZeoliteConfinement Effect in Stability of Reaction Intermediates for C-H Bond Activation2012
- Author(s)
  Yumura, T.; Kobayashi, H.:
- Organizer
  International Conference on Emerging Advanced Nanomaterials (ICEAN)-2012
- Place of Presentation
  Mercure HotelBrisbane (Australia)
- Year and Date
  2012-10-25
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Chemically Reactive Species Remain Alive Inside Carbon Nanotube: A Density Functional Theory Calculation Study2012
- Author(s)
  Yumura, T.:
- Organizer
  International Conference on Science andTechnology of Synthetic Metal (ICSM) 2012
- Place of Presentation
  Hyatt Regency Atlanta (Georgia,USA).
- Year and Date
  2012-07-10
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Zeolite Confinement Effect in Stability of Reaction Intermediates for C-H Bond Activation2012
- Author(s)
  Yumura, T. and Kobayashi, H.
- Organizer
  International Conference on Emerging Advanced　Nanomaterials (ICEAN)-2012
- Place of Presentation
  Brisbane (Australia)
- Invited
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Introduction of Vacancy-type Defect to Graphene Enhances the Interactions with Platinum Cluster2012
- Author(s)
  Yumura T., Awano T., Kobayashi H., Yamabe T.
- Organizer
  International Conference on Science and Technology of Synthetic Metal (ICSM) 2012
- Place of Presentation
  Hyatt Regency Atlanta (Georgia, USA)
- Year and Date
  2012-07-10
- Data Source
  KAKENHI-PROJECT-23560934
[Presentation] Roles of Weak Interactions in Determining Orientation of Thiophene Oligomer inside Carbon Nanotube2012
- Author(s)
  Yamashita, H.; Yumura T.:
- Organizer
  Carbon 2012
- Place of Presentation
  Auditorium Maximum,(Krakow, Poland).
- Year and Date
  2012-06-19
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] (2)カーボンナノチューブホストとチオフェンオリゴマーとの相互作用における弱い力の重要性2012
- Author(s)
  山下裕生、湯村尚史、小林久芳
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  慶應義塾大学(横浜)
- Data Source
  KAKENHI-PROJECT-23560934
[Presentation] Density Functional Theory Calculations of the Cleavage of CC Bonds of Nanotubes by Diketone Formation2011
- Author(s)
  湯村尚史・金光俊幸
- Organizer
  第40回フラーレン・ナノチューブ総合シンポジウム
- Place of Presentation
  名城大学(名古屋)
- Year and Date
  2011-03-08
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] ZSM-5 ゼオライトナノ細孔中でのキセノン原子の吸着2011
- Author(s)
  山下裕生・湯村尚史・鳥越裕恵・黒田泰重・小林久芳
- Organizer
  第五回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] ZSM-5 ゼオライト内部での銀クラスターの特性に関する理論的研究2011
- Author(s)
  湯村尚史・難波朋大・鳥越裕恵・黒田泰重・小林久芳
- Organizer
  日本化学会第91 春季年会
- Place of Presentation
  神奈川大学(横浜)
- Year and Date
  2011-03-26
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] ZSM-5ゼオライト内部での銀クラスターの特性に関する理論的研究2011
- Author(s)
  湯村尚史・難波朋大・鳥越裕恵・黒田泰重・小林久芳
- Organizer
  日本化学会第91春季年会
- Place of Presentation
  神奈川大学(横浜)
- Year and Date
  2011-03-26
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] The activation of C-H bonds in CH_4 mediated by transition metalcations inside a ZSM-5 cavity2011
- Author(s)
  Yumura, T.
- Organizer
  5th IDECAT/ERIC-JCAT Conference on Catalysis
- Place of Presentation
  University Residential Center of Bertinoro (Italy)(招待講演)
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] The activation of C-H bonds in CH4 mediated by transition metal cations inside a ZSM-5 cavity2011
- Author(s)
  Yumura, T.:
- Organizer
  5th IDECAT/ERIC-JCAT Conference on Catalysis
- Place of Presentation
  University Residential Center of Bertinoro (Italy).
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] ZSM-5ゼオライトナノ細孔中でのキセノン原子の吸着2011
- Author(s)
  山下裕生、湯村尚史、鳥越裕恵、黒田泰重、小林久芳
- Organizer
  第五回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター(札幌)
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] The activation of C-H bonds in CH4 mediated by transition metal cations inside a ZSM‐5 cavity2011
- Author(s)
  Yumura, T.
- Organizer
  5th IDECAT/ERIC-JCAT Conference on Catalysis(招待講演)
- Place of Presentation
  University Residential Center of Bertinoro (Italy)
- Data Source
  KAKENHI-PROJECT-23560934
[Presentation] The Use of Nanometer-sized Hydrographene Species for Support Material for Fuel Cell Electrode Catalysts : A Theoretical Proposal2010
- Author(s)
  Yumura, T., et al.
- Organizer
  International Conference on Science and Technology of Synthetic Metals (2010)
- Place of Presentation
  ICC Kyoto Kyoto (Japan)
- Year and Date
  2010-07-05
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] The Use of Nanometer-sized Hydrographene Species for Support Material for Fuel Cell Electrode Catalysts : A Theoretical Proposal2010
- Author(s)
  Yumura, T.; Kimura, K.; Kobayashi, H.;Tanaka, R.; Okumura, N. Yamabe, T.:
- Organizer
  International Conference on Science and Technology of Synthetic Metals (2010).
- Place of Presentation
  ICCKyoto Kyoto (Japan).
- Year and Date
  2010-07-05
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] A DFT Study of Interactions of Organic Molecules with Dicopper Centers in a ZSM-5 Cavity2010
- Author(s)
  Yumura, T., et al.
- Organizer
  16th International Zeolite Conference (16th IZC)
- Place of Presentation
  Hilton Sorrento Palace Sorrento (Italy)
- Year and Date
  2010-07-09
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Roles of Conformational Restrictions of Carbene-derivatives in the Interactions with a Carbon Nanotube2010
- Author(s)
  Yumura, T., Kertesz, M.
- Organizer
  International Conference on Nanoscopic Colloid and Surface Science (NCSS 2010)
- Place of Presentation
  Makuhari Messe Chiba (Japan)
- Year and Date
  2010-09-20
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Density Functional Theory Calculations of Double Addition of KMnO_4 into a Carbon Nanotube2010
- Author(s)
  湯村尚史・金光俊幸
- Organizer
  第39回フラーレン・ナノチューブ総合シンポジウム
- Place of Presentation
  京都大学 (京都).
- Year and Date
  2010-09-05
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Chemisorption of an Inert Xe Atom at 300 K on Copper-ion Exchanged in MFI2010
- Author(s)
  H.Torigoe, T.Yumura, T.Ohkubo, H.Kobayashi, Y.Kuroda
- Organizer
  10th International Conference on Fundamentals of Adsorption (FOA10)
- Place of Presentation
  Awaji, Hyogo Japan
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] Roles of Conformational Restrictions of Carbene-derivatives in the Interactions with a Carbon Nanotube2010
- Author(s)
  Yumura, T., Kertesz, M.:
- Organizer
  International Conference on Nanoscopic Colloid and Surface Science
- Place of Presentation
  Makuhari Messe Chiba (Japan)
- Year and Date
  2010-09-20
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] ナノメートルサイズハイドログラフェンのエッジ構造を利用した酸素分子活性化2010
- Author(s)
  湯村尚史・小林久芳・山邊時雄
- Organizer
  第40回分子科学討論会
- Place of Presentation
  大阪大学(大阪)
- Year and Date
  2010-09-16
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Chemisorption of inert Xe on AgMFI at 300 K-Structural and electronic characterization-2010
- Author(s)
  Hiroe Torigoe, Takashi Yumura, Takahiro Ohkubo, Hisayoshi Kobayashi, Yasushige Kuroda
- Organizer
  16th international zeolite conference (IZC-16)
- Place of Presentation
  Convention Center "Hilton Sorrento Palace", Sorrento Italy
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] A DFT Study of Interactions of Organic Molecules with Dicopper Centers in a ZSM-5 Cavity2010
- Author(s)
  T.Yumura, A.Itadani, H.Kobayashi, Y.Kuroda
- Organizer
  16th international zeolite conference (IZC-16)
- Place of Presentation
  Convention Center "Hilton Sorrento Palace", Sorrento Italy
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] AgMFI中に形成されるAgクラスターの状態検討2010
- Author(s)
  鳥越裕恵・板谷篤司・大久保貴広・湯村尚史・難波朋大・小林久芳・黒田泰重
- Organizer
  第106回触媒討論会
- Place of Presentation
  山梨県甲府市ベルクラシック甲府・山梨大学甲府キャンパス
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] A DFT Study of Interactions of Organic Molecules with Dicopper Centers in a ZSM-5 Cavity2010
- Author(s)
  Yumura, T.; Itadani, A.; Kobayashi, H.Kuroda, Y.:
- Organizer
  16th International Zeolite Conference (16th IZC).
- Place of Presentation
  Hilton Sorrento Palace Sorrento (Italy).
- Year and Date
  2010-07-09
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] Preparation of Silver Ion-Clusters in AgMFI-In Connection with Xe-adsorption-2010
- Author(s)
  H.Torigoe, A.Itadani, T.Yumura, T.Ohkubo, H.Kobayashi, Y.Kuroda
- Organizer
  International Conference on Nanoscopic Colloid and Surface Science : NCSS-2010
- Place of Presentation
  Makuhari Messe
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] Specific H2 adsorption onto CuMFI at room temperature : extended to H-D exchange reaction of surface OH and ortho-para conversion of H_22010
- Author(s)
  Y.Kuroda, K.Takahara, H.Shinogi, H.Torigoe, T.Ohkubo, M.Lintuluoto, T.Yumura, H.Kobayashi
- Organizer
  16th international zeolite conference (IZC-16)
- Place of Presentation
  Convention Center "Hilton Sorrento Palace", Sorrento Italy
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] Adsorption and activation of C_2H_2 by Cu^+ in CuMFI at 300 K2010
- Author(s)
  A.Itadani, K.Takahara, T.Yumura, T.Ohkubo, H.Kobayashi, Y.Kuroda
- Organizer
  10th International Conference on Fundamentals of Adsorption (FOA10)
- Place of Presentation
  Awaji, Hyogo Japan
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] 銅イオン交換MFI-型ゼオライトを用いた小分子の活性化2010
- Author(s)
  黒田泰重・板谷篤司・湯村尚史・小林久芳
- Organizer
  分子研研究会「グリーンイノベーションのための表面・界面化学」
- Place of Presentation
  分子研,岡崎市明大寺町字西郷中38番地
- Data Source
  KAKENHI-PROJECT-21655021
[Presentation] Use of Nanometer-size Hydrographene Species for Support Material for Fuel Cell Electrode Catalysts : Theoretical Proposal2010
- Author(s)
  T.Yumura, K.Kimura, H.Kobayashi, R.Tanaka, N.Okumura, T.Yamabe
- Organizer
  International Conference on Synthetic Metals 2010
- Place of Presentation
  国立京都国際会館(京都市)
- Data Source
  KAKENHI-PROJECT-20350089
[Presentation] Density Functional Theory Calculations of Double Addition of KMnO_4 into a Carbon Nanotube2010
- Author(s)
  湯村尚史・金光俊幸
- Organizer
  第39回フラーレン・ナノチューブ総合シンポジウム
- Place of Presentation
  京都大学(京都)
- Year and Date
  2010-09-05
- Data Source
  KAKENHI-PROJECT-22710088
[Presentation] ZSM-5ナノ細孔中でのキセノン原子の異常挙動 : 計算化学による新たな知見(4B3-05)2009
- Author(s)
  湯村尚史
- Organizer
  日本化学会第89回春年会
- Place of Presentation
  日本大学
- Year and Date
  2009-03-30
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] 銅担持ZSM-5での酸素分子活性化におけるナノ細孔閉じ込め効果(3M1-39)2009
- Author(s)
  湯村尚史
- Organizer
  日本化学会第89回春年会
- Place of Presentation
  日本大学
- Year and Date
  2009-03-29
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] 有限サイズグラフェンの燃料電池触媒サポート原料への応用:計算科学からの視点2009
- Author(s)
  湯村尚史、木村圭介、小林久芳、田中僚、奥村典男、山邊時雄
- Organizer
  分子科学討論会2009
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-20350089
[Presentation] カーボンナノチューブ内部の閉じ込め効果に関する理論的研究2008
- Author(s)
  湯村尚史
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場(1P029)
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] カーボンナノチューブ内部の閉じ込め効果に関する理論的研究2008
- Author(s)
  湯村尚史
- Organizer
  第二回分子科学討論会 2008
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] カーボンナノチューブ内部の閉じ込め効果2008
- Author(s)
  湯村尚史
- Organizer
  第52回日本学術会議材料工学連合講演会(314)
- Place of Presentation
  京大会館
- Year and Date
  2008-10-22
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] カーボンナノチューブの化学修飾における修飾サイト制御2008
- Author(s)
  湯村尚史
- Organizer
  日本化学会第88回春年会
- Place of Presentation
  立教大学
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] Cooperative Behaviors in Carbene Additions through Local Modifications of Nanotube Surface2008
- Author(s)
  湯村尚史
- Organizer
  第34回フラーレンナノチューブ総合シンポジウム
- Place of Presentation
  名城大学(1P-29)
- Year and Date
  2008-03-03
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] Roles of Conformational Restrictions of Carbene-derivatives in the Interactions with a Carbon Nanotubes(1P-28)2008
- Author(s)
  湯村尚史
- Organizer
  第35回フラーレンナノチューブ総合シンポジウム
- Place of Presentation
  東京工業大学
- Year and Date
  2008-08-27
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] カーボンナノチューブの化学修飾における修飾サイト制御2008
- Author(s)
  湯村尚史
- Organizer
  日本化学会第88回春年会
- Place of Presentation
  立教大学(3D1-29)
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19810011
[Presentation] パイ共役系オリゴマーを内包したカーボンナノチューブの電子状態制御
- Author(s)
  湯村尚史
- Organizer
  日本化学会第95春季年会 (2015)
- Place of Presentation
  日本大学　船橋キャンパス
- Year and Date
  2015-03-26 – 2015-03-29
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] Zeolite Confinement Effect in Stability of Reaction Intermediates for C-H Bond Activation
- Author(s)
  Takashi Yumura, and Hisayoshi Kobayashi
- Organizer
  International Conference on Emerging Advanced Nanomaterials (ICEAN)-2012
- Place of Presentation
  Brisbane (Australia)
- Invited
- Data Source
  KAKENHI-PROJECT-23560934
[Presentation] A Computational Study on Properties of Multimeric Pi Conjugated Oligomers inside Carbon Nanotubes
- Author(s)
  Takashi Yumura, Hiroki Yamashita
- Organizer
  第48回フラーレン・ナノチューブ・グラフェン総合シンポジウム
- Place of Presentation
  東京大学　本郷キャンパス
- Year and Date
  2015-02-21 – 2015-02-23
- Data Source
  KAKENHI-PROJECT-26790001
[Presentation] 二酸化炭素を捕捉したグラフェンオキサイドの構造特性に関する密度汎関数計算
- Author(s)
  山崎　愛弓・湯村　尚史・小林　久芳
- Organizer
  日本化学会第93春季年会 1B3-27
- Place of Presentation
  南草津　立命館大学
- Data Source
  KAKENHI-PROJECT-23560934

1. HISAYOSHI Kobayashi (40128690)

# of Collaborated Projects: 3 results

# of Collaborated Products: 27 results
2. TOKIO Yamabe (80025965)

# of Collaborated Projects: 2 results

# of Collaborated Products: 10 results
3. NORIO Okumyra (80086412)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
4. TATSUMI Yoshino (70029205)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. MITSUHIRO Fujii (90086455)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 黒田泰重 (40116455)

# of Collaborated Projects: 1 results

# of Collaborated Products: 14 results
7. WATASE Seiji

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
8. MORISUE Mitsuhiko

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
9. 北川裕一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
10. 井本裕顕

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results

Yumura Takashi 湯村 尚史

YUMURA Takashi 湯村 尚史

Research Projects

Research Products

Co-Researchers

The use of particle swarm optimization for accelerating analyses of chemical reactions inside low-dimensional nanospacePrincipal Investigator

Principal Investigator

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Review Section

Research Institution

Controlling molecular orientation of Stilbene-derivatives by utilizing one-dimensional nano space: Toward constructing novel wavelength-conversion devicesPrincipal Investigator

Principal Investigator

Project Period (FY)

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Review Section

Research Institution

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Principal Investigator

Principal Investigator

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Review Section

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Designing visible-response switches based on carbon nanotubes containing pi-conjugated moleculesPrincipal Investigator

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Theoretical study on elucidation of the mechanism of oxygen reduction reaction and development of carbon alloy electrodes.

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Utilization of Inner Space of Carbon Nanotube for Designing Functionalized CatalystsPrincipal Investigator

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新規Xe化合物の合成と新しいXe無機化学の開拓

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A Study for Intensive Decrease of the Amount of Pt/c Catalyst in Polymer Electrolyte Fuel Cell (PEFC) by using Dot Matrix or Porous Nano-Carbon

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Design of Nanopeapod-based Devices by Controlling Binding Sites of Encaged Metal AtomsPrincipal Investigator

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[Book] Enzymatic Methane Hydroxylation: sMMO & pMMO: A Review (Chapter 3 in Direct Hydroxylation of Methane edited by Yoshizawa K.) )2020

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[Book] Modeling of Chemical Reactivity of Carbon Nanotubes: A Review" Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends (Springer)2012

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[Book] Modeling of Chemical Reactivity of Carbon Nanotubes : A Review2012

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[Book] Carbon Nanotubes/Book 5 (InTech-Open Access Publisher)2011

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[Book] A Density Functional Theory Study of Chemical Functionalization of Carbon Nanotubes -Toward Site Selective Functionalization2011

Author(s)

Yumura Takashi 湯村尚史

YUMURA Takashi 湯村尚史