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OKUMURA MITSUTAKA  奥村 光隆

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Okumura Mitsutaka  奥村 光隆

OKUMURA Mitsutaka  奥村 光隆

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Researcher Number 40356712
Other IDs
Affiliation (Current) 2025: 大阪大学, 大学院理学研究科, 教授
Affiliation (based on the past Project Information) *help 2022 – 2024: 大阪大学, 大学院理学研究科, 教授
2021: 大阪大学, 理学研究科, 教授
2017 – 2019: 大阪大学, 理学研究科, 教授
2012 – 2013: 大阪大学, 理学(系)研究科(研究院), 教授
2011: 大阪大学, 理学研究科, 教授 … More
2008 – 2010: Osaka University, 大学院・理学研究科, 教授
2007: Osaka University, 大学院・理学研究科, 准教授
2004 – 2006: 大阪大学, 理学研究科, 助教授
2003: 大阪大学, 大学院・理学研究科, 助教授 Less
Review Section/Research Field
Principal Investigator
Science and Engineering / Physical chemistry / Functional materials chemistry / Basic Section 32010:Fundamental physical chemistry-related
Except Principal Investigator
Medium-sized Section 27:Chemical engineering and related fields / Physical chemistry / Physical chemistry
Keywords
Principal Investigator
クラスター / ヘテロ接合 / 理論計算 / 擬縮重多電子系 / 貴金属担持クラスター触媒 / 貴金属クラスター / 伝導性 / メゾスコピック / 構造最適化 / 対称性の破れ … More / 貴金属 / ナノ構造 / 低次元細孔 / ソフトルイス酸的触媒反応 / 非化学量論比酸化物担体 / 酸素分子活性化 / 触媒表面の構造活性相関 / 多変量解析 / 金ナノ粒子 / DFT / ナノクラスター触媒 / ソフトルイス酸性 / ナノクラス-触媒 / 表面界面 / 反応機構 / 異性化反応 / 触媒化学 / 量子化学 / ソフトルイス酸的触媒活性 / cluster size effect / surface adsorption / iridium cluster / gold cluster / イリジウムナノクラスター / 金ナノクラスター / サイズ効果 / 表面吸着 / イリジウムクラスター / 金クラスター / 化学反応性 / 磁気特性 / 光特性 / サブナノクラスター / ナノ材料 / 量子化学計算 / 光物性 / 磁性 / 金属錯体 / コロイド・超微粒子 / 磁気的相互作 / 第一原理計算 / スピンシミュレーション / 磁気異方性 / 有効交換相互作用 / 有機金属錯体 / 磁気的相互作用 / 有機磁性体 … More
Except Principal Investigator
アンモニア / 光触媒 / 第1級アミン合成 / spin fluctuation / quantum chemistry / high temperature superconductor / effective exchange integral (Jab) / molecular magnetic metal / noncollinear magnetism / strong electron correlation / generalized spin orbital(GSO) / Mn_4O_4クラスター / Cr_3,Cr_4クラスター / スピンフラストレーション / GSO DFT / GSO HF / 一般化スピン軌道 / 一般化スピン軌動(GSO) / 有効交換積分(Jab)値 / スピン揺らぎ / 量子化学 / 高温超伝導 / 有効交換積分(J_<ab>)値 / 分子磁性金属 / ノンコリニア磁性 / 強相関電子系 / 一般化スピン軌道(GSO) / ラジカル機構 / p450 / UB3LYP / MRCC / CaMn405クラスター / 反応機構 / 光合成活性中心 / 遷移状態計算 / 酸素添加反応 / メタンモノオキシゲネース / 水分解反応 / 光合成PSII / OEC / CaMn_4O_5クラスター / p-450 / MMO, OEC, PSII / p. 450 / 理論的研究 / 機能発現 / 化学反応性 / 電子構造 / 生体内多核遷移金属錯体 Less
  • Research Projects

    (12 results)
  • Research Products

    (230 results)
  • Co-Researchers

    (18 People)
  •  光触媒とアンモニアによる第1級アミン合成の新展開

    • Principal Investigator
      吉田 寿雄
    • Project Period (FY)
      2022 – 2024
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Review Section
      Medium-sized Section 27:Chemical engineering and related fields
    • Research Institution
      Kyoto University
  •  担持触媒接合界面における原子間隔や原子欠損の触媒活性に与える影響の理論的研究Principal Investigator

    • Principal Investigator
      奥村 光隆
    • Project Period (FY)
      2021 – 2024
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Osaka University
  •  Theoretical study of structure-activity relationship for soft Lewis acidity of noble metal nanocluster catalystsPrincipal Investigator

    • Principal Investigator
      Okumura Mitsutaka
    • Project Period (FY)
      2017 – 2019
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Osaka University
  •  Theoretical investigaiton for the generation of the properties by the control of spin and geometry of a small number atom containing cluster materialsPrincipal Investigator

    • Principal Investigator
      OKUMURA Mitsutaka
    • Project Period (FY)
      2011 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Functional materials chemistry
    • Research Institution
      Osaka University
  •  Theoretical studies of electronic structure, chemical reaction and function of multi-nuclear transition-metal complexes in biological systems

    • Principal Investigator
      YAMAGUCHI Kizashi
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      公益財団法人豊田理化学研究所
      Toyota Physical & Chemical Research Institute
  •  貴金属クラスター触媒の原子レベル接合効果による協奏機能発現の理論的解明Principal Investigator

    • Principal Investigator
      奥村 光隆
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Osaka University
  •  擬縮重多電子系の理論展開と実在系の解明Principal Investigator

    • Principal Investigator
      奥村 光隆
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Osaka University
  •  不均一系触媒の原子レベル接合構造制御と触媒機能の理論的解明Principal Investigator

    • Principal Investigator
      奥村 光隆
    • Project Period (FY)
      2007
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Osaka University
  •  擬縮重多電子系の理論の深化と実在系への展開Principal Investigator

    • Principal Investigator
      奥村 光隆
    • Project Period (FY)
      2007
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Osaka University
  •  Theoretical Investigation of Macroscopic Magnetism for Molecular Magnets using Statistical Theory and ab initio calculationsPrincipal Investigator

    • Principal Investigator
      OKUMURA Mitsutaka
    • Project Period (FY)
      2007 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Functional materials chemistry
    • Research Institution
      Osaka University
  •  Theoretical investigation of the low temperature catalytic activities and the electronic structures for gold and integrated precious metal clustersPrincipal Investigator

    • Principal Investigator
      OKUMURA Mitsutaka
    • Project Period (FY)
      2004 – 2006
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Osaka University
  •  Theoretical studies on molecular magnetism and superconductivity with the generalized spin orbital(GSO)

    • Principal Investigator
      YAMAGUCHI Kizashi
    • Project Period (FY)
      2002 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Osaka University

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All Journal Article Presentation Book

  • [Book] 錯体化学選書⑩ 『金属錯体の量子計算化学』2014

    • Author(s)
      山中秀介、川上貴資、奥村光隆
    • Total Pages
      20
    • Publisher
      三共出版
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Book] 錯体選書(10)金属錯体の量子計算化学2014

    • Author(s)
      山中秀介, 川上貴資, 奥村光隆
    • Total Pages
      20
    • Publisher
      山峡出版
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Book] Heterogeneous Catalysis by Gold, Advances in Catalysis Vol. 552013

    • Author(s)
      T. Takei, T. Akita, I. Nakamura, T. Fujitani, M. Okumura, K. Okazaki, J. H. Huan, T. Ishida, M. Haruta
    • Total Pages
      26
    • Publisher
      ELSEVIER ACADEMIC PRESS INC
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Book] 大阪大学ナノサイエンス・ナノテクノロジー研究推進機構企画推進室2010

    • Author(s)
      奥村光隆
    • Total Pages
      165
    • Publisher
      阪大ナノサイエンスワールド
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Book] 金ナノテクノロジー-その基礎と応用-2010

    • Author(s)
      奥村光隆
    • Total Pages
      345
    • Publisher
      CMC出版
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Book] 金ナノテクノロジー-その基礎と応用- 第12章金クラスターの計算化学2009

    • Author(s)
      奥村光隆
    • Total Pages
      345
    • Publisher
      CMC出版
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Book] 金ナノテクノロジー-その基礎と応用-2009

    • Author(s)
      奧村光隆
    • Total Pages
      345
    • Publisher
      CMC出版
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Book] 大阪大学出版会2008

    • Author(s)
      奥村光隆
    • Total Pages
      10
    • Publisher
      みず学への誘い
    • Data Source
      KAKENHI-PROJECT-20038036
  • [Book] 大阪大学出版会2008

    • Author(s)
      奥村光隆
    • Total Pages
      10
    • Publisher
      みず学への誘い
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Book] みず学への誘い2008

    • Author(s)
      奥村光隆
    • Total Pages
      300
    • Publisher
      大阪大学出版会
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Book] 固体物理 分子磁性の理論(その14)CuOと等電子的なπ-d,π-R及び関連物質系の分子設計2005

    • Author(s)
      川上貴資, 三谷昌輝, 山中秀介, 奥村光隆, 山口 兆
    • Total Pages
      16
    • Publisher
      アグネ技術センター
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Book] 固体物理 分子磁性の理論(その14)CuOと等電子的なπ-d, π-R及び関連物質系の分子設計2005

    • Author(s)
      川上貴資, 三谷昌輝, 山中秀介, 奥村光隆, 山 口兆
    • Total Pages
      16
    • Publisher
      アグネ技術センター
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Book] 物性量子化学入門2004

    • Author(s)
      奥村光隆, 山口 兆
    • Total Pages
      288
    • Publisher
      講談社サイエンティフック
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Book] 物性量子化学入門2004

    • Author(s)
      奥村光隆, 山口 兆
    • Total Pages
      288
    • Publisher
      講談社サイエンティフィック
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Gold/Substituted Hydroxyapatites for Oxidative Esterification: Control of Thin Apatite Layer on Gold Based on Strong Metal-Support Interaction (SMSI) Results in High Activity2023

    • Author(s)
      Taketoshi Ayako、Gangarajula Yuvaraj、Sodenaga Ryusei、Nakayama Akihiro、Okumura Mitsutaka、Sakaguchi Norihito、Murayama Toru、Shimada Tetsuya、Takagi Shinsuke、Haruta Masatake、Qiao Botao、Wang Junhu、Ishida Tamao
    • Journal Title

      ACS Applied Materials and Interfaces

      Volume: 15 Issue: 28 Pages: 34290-34302

    • DOI

      10.1021/acsami.3c05974

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04994, KAKENHI-PROJECT-21K05143
  • [Journal Article] Theoretical Study on TiOOH Production over Au/TiO2 Catalyst -Support Dependency of Propylene Oxide Production-2023

    • Author(s)
      Hamada Yasutaka、Mishima Yuki、Yonemori Tomohisa、Kawakami Takashi、Yamanaka Shusuke、Okumura Mitsutaka
    • Journal Title

      Chemistry Letters

      Volume: 52 Issue: 12 Pages: 861-864

    • DOI

      10.1246/cl.230367

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Journal Article] Supported Noble Metal Catalysts and Adsorbents with Soft Lewis Acid Functions2023

    • Author(s)
      Murayama Haruno、Huang Qi‐An、Yamamoto Eiji、Tokunaga Makoto、Ishida Tamao、Okumura Mitsutaka、Honma Tetsuo、Fujitani Tadahiro、Isogai Atsuko
    • Journal Title

      The Chemical Record

      Volume: 23 Issue: 11 Pages: 1-16

    • DOI

      10.1002/tcr.202300148

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Journal Article] Variation in spin contamination and diradical character with distance between a singlet biradical molecule and surface2022

    • Author(s)
      Fujimaru Koji、Tada Kohei、Ozaki Hiroyuki、Okumura Mitsutaka、Tanaka Shingo
    • Journal Title

      Surfaces and Interfaces

      Volume: 33 Pages: 102206-102206

    • DOI

      10.1016/j.surfin.2022.102206

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K04994, KAKENHI-PROJECT-20K15177
  • [Journal Article] Diradical Characters of s-Indaceno[1,2,3-cd;5,6,7-c’d’]Diphenalene with and without Interaction with MgO(001)2022

    • Author(s)
      Kohei Tada, Hiroyuki Ozaki, Koji Fujimaru, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura
    • Journal Title

      e-J. Surf. Sci. Nanotechnol.

      Volume: 20 Issue: 2 Pages: 59-67

    • DOI

      10.1380/ejssnt.2022-011

    • ISSN
      1348-0391
    • Year and Date
      2022-03-19
    • Language
      English
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-20K05528, KAKENHI-PROJECT-21K04994, KAKENHI-PROJECT-20K15177
  • [Journal Article] Partial oxidation of propylene with H2 and O2 over Au supported on ZrO2 with different structural and surface properties2021

    • Author(s)
      Zheng Yuhua、Okumura Mitsutaka、Hua Xiaoyue、Sonoura Ayaka、Su Huijuan、Nobutou Hiroki、Sun Xun、Sun Libo、Xiao Fengshou、Qi Caixia
    • Journal Title

      Journal of Catalysis

      Volume: 401 Pages: 188-199

    • DOI

      10.1016/j.jcat.2021.07.021

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Journal Article] Pt/CeO2 with residual chloride as reusable soft Lewis acid catalysts: Application to highly efficient isomerization of allylic esters2021

    • Author(s)
      Huang Qi-An、Haruta Asahi、Kumamoto Yuhya、Murayama Haruno、Yamamoto Eiji、Honma Tetsuo、Okumura Mitsutaka、Nobutou Hiroki、Tokunaga Makoto
    • Journal Title

      Applied Catalysis B: Environmental

      Volume: 296 Pages: 120333-120333

    • DOI

      10.1016/j.apcatb.2021.120333

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19H02755, KAKENHI-PROJECT-21K04994
  • [Journal Article] Gibbs energy of hydrogen adsorption on Pt surface by machine learning potential and metadynamics2021

    • Author(s)
      Hayashi Akihide、Ato Yoshinori、Yamamoto Akira、Yoshida Hisao、Yamanaka Shusuke、Kawakami Takashi、Okumura Mitsutaka
    • Journal Title

      Chemistry Letters

      Volume: - Issue: 7 Pages: 1329-1332

    • DOI

      10.1246/cl.210137

    • NAID

      130008065509

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18J20387, KAKENHI-PROJECT-20K05528, KAKENHI-PROJECT-21K04994
  • [Journal Article] Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme2021

    • Author(s)
      Tada Kohei、Yamanaka Shusuke、Kawakami Takashi、Kitagawa Yasutaka、Okumura Mitsutaka、Yamaguchi Kizashi、Tanaka Shingo
    • Journal Title

      Chemical Physics Letters

      Volume: 765 Pages: 138291-138291

    • DOI

      10.1016/j.cplett.2020.138291

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-20K15177, KAKENHI-PROJECT-20K05528, KAKENHI-PROJECT-21K04994
  • [Journal Article] Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems2019

    • Author(s)
      Kitakawa Colin、Maruyama Tomohiro、Oonari Jinta、Mitsuta Yuki、Kawakami Takashi、Okumura Mitsutaka、Yamaguchi Kizashi、Yamanaka Shusuke
    • Journal Title

      Molecules

      Volume: 24 Issue: 4 Pages: 821-821

    • DOI

      10.3390/molecules24040821

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-17H06434, KAKENHI-PROJECT-17K05752
  • [Journal Article] Theoretical investigation of the effect of phosphate doping on the aggregation of Au atoms on an Al2O3 (0001) surface2019

    • Author(s)
      Tada Kohei、Koga Hiroaki、Sakurai Hiroaki、Tanaka Shingo、Ato Yoshinori、Hayashi Akihide、Kawakami Takashi、Yamanaka Shusuke、Okumura Mitsutaka
    • Journal Title

      Applied Surface Science

      Volume: 465 Pages: 1003-1013

    • DOI

      10.1016/j.apsusc.2018.09.172

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17H07396, KAKENHI-PROJECT-17K05752
  • [Journal Article] Theoretical study of aerobic oxidation of alcohols over Au-38 nanocluster by a two-step-modeling approach2019

    • Author(s)
      Ato, Yoshinori; Hayashi, Akihide; Koga, Hiroaki; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka
    • Journal Title

      Chemical Physics Letters

      Volume: 724 Pages: 115-121

    • DOI

      10.1016/j.cplett.2019.03.060

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Journal Article] Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(001) surface: First application of approximate spin projection (AP) method to plane wave basis2018

    • Author(s)
      Kohei Tada, Hiroaki Koga, Mitsutaka Okumura, Shingo Tanaka
    • Journal Title

      Chemical Physics Letters

      Volume: 印刷中 Pages: 103-108

    • DOI

      10.1016/j.cplett.2018.03.064

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17H07396, KAKENHI-PROJECT-17K05752
  • [Journal Article] Effect of ceria and zirconia supports on NO reduction over platinum-group metal catalysts: A DFT study with comparative experiments2018

    • Author(s)
      KOGA Hiroaki、HAYASHI Akihide、ATO Yoshinori、TADA Kohei、HOSOKAWA Saburo、TANAKA Tsunehiro、OKUMURA Mitsutaka
    • Journal Title

      Catalysis Today

      Volume: 印刷中 Pages: 236-244

    • DOI

      10.1016/j.cattod.2018.07.023

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K04935, KAKENHI-PROJECT-17H07396, KAKENHI-PROJECT-17K05752
  • [Journal Article] Carbon Monoxide Oxidation by Polyoxometalate-Supported Gold Nanoparticulate Catalysts: Activity, Stability, and Temperature- Dependent Activation Properties2018

    • Author(s)
      Yoshida Takuya、Murayama Toru、Sakaguchi Norihito、Okumura Mitsutaka、Ishida Tamao、Haruta Masatake
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 57 Issue: 6 Pages: 1523-1527

    • DOI

      10.1002/anie.201710424

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K05752, KAKENHI-PROJECT-16K06858, KAKENHI-ORGANIZER-26105001, KAKENHI-INTERNATIONAL-15K21719
  • [Journal Article] Theoretical study of correlations between the coordination structures and catalytic activities in polymer-stabilized au nanocluster catalysts2018

    • Author(s)
      Ato Yoshinori、Hayashi Akihide、Koga Hiroaki、Tada Kohei、Kawakami Takashi、Yamanaka Shusuke、Okumura Mitsutaka
    • Journal Title

      Journal of Computational Chemistry

      Volume: 40 Issue: 1 Pages: 222-228

    • DOI

      10.1002/jcc.25375

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Journal Article] Theoretical Investigation of Surface Oxidation of NiO/Au Core-Shell Catalyst2018

    • Author(s)
      Akihide Hayashi, Yoshinori Ato, Kohei Tada, Hiroaki Koga, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura
    • Journal Title

      e-J. Surf. Sci. Nanotechnol.

      Volume: 16 Issue: 0 Pages: 242-246

    • DOI

      10.1380/ejssnt.2018.242

    • NAID

      130007384806

    • ISSN
      1348-0391
    • Year and Date
      2018-06-07
    • Language
      English
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18J20387, KAKENHI-PROJECT-17K05752
  • [Journal Article] Potential of Titania-covered Ag Catalysts for NO<i><sub>x</sub></i> Reduction: A DFT Study2017

    • Author(s)
      Hiroaki Koga, Kohei Tada, Akihide Hayashi, Yoshinori Ato, Mitsutaka Okumura
    • Journal Title

      Chem. Lett.

      Volume: 46 Issue: 4 Pages: 456-459

    • DOI

      10.1246/cl.161121

    • NAID

      130005549113

    • ISSN
      0366-7022, 1348-0715
    • Language
      English
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15J01822, KAKENHI-PROJECT-17K05752
  • [Journal Article] High NOx Reduction Activity of an Ultrathin Zirconia Film Covering a Cu Surface: A DFT Study2017

    • Author(s)
      Koga Hiroaki、Tada Kohei、Hayashi Akihide、Ato Yoshinori、Okumura Mitsutaka
    • Journal Title

      Catalysis Letters

      Volume: 147 Issue: 7 Pages: 1827-1833

    • DOI

      10.1007/s10562-017-2086-5

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Journal Article] DFT calculations for aerobic oxidation of alcohols over neutral Au-6 cluster2013

    • Author(s)
      K. Sakata, K. Tada, S. Yamada, K. Okazaki, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura
    • Journal Title

      Mol. Phys

      Volume: 112 Issue: 3-4 Pages: 385-392

    • DOI

      10.1080/00268976.2013.828857

    • Data Source
      KAKENHI-PROJECT-23350064
  • [Journal Article] Combination of approximate spin-projection and spin-restricted calculations based on ONIOM method for geometry optimization of large biradical systems2013

    • Author(s)
      Y. Kitagawa, N. Yasuda, H. Hatake, T. Saito, Y. Kataoka, T. Matsui, T. Kawakami, S. Yamanaka, M. Okumura, K. Yamaguchi
    • Journal Title

      Int. J. Quant. Chem

      Volume: 113 Issue: 3 Pages: 290-295

    • DOI

      10.1002/qua.24018

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064, KAKENHI-PROJECT-23550016, KAKENHI-PROJECT-24000018, KAKENHI-PUBLICLY-24108721
  • [Journal Article] DFT calculations for chlorine elimination from chlorine-adsorbed gold clusters by hydrogen2013

    • Author(s)
      K. Tada, K. Sakata, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura
    • Journal Title

      Chem. Phys. Lett.

      Volume: 579 Pages: 94-99

    • DOI

      10.1016/j.cplett.2013.06.023

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064, KAKENHI-PROJECT-24550024
  • [Journal Article] DFT calculations for Au adsorption onto a reduced TiO2 (110) surface with the coexistence of Cl2013

    • Author(s)
      K. Tada, K. Sakata, S. Yamada, K. Okazaki, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura
    • Journal Title

      Mol. Phys.

      Volume: 112 Issue: 3-4 Pages: 365-378

    • DOI

      10.1080/00268976.2013.822113

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064, KAKENHI-PROJECT-24550024
  • [Journal Article] Theoretical investigation for the stability of the concave-bound cyclopentadienyl iron complex of sumanene2012

    • Author(s)
      M. Okumura, Y. Nakanishi, K. Kinoshita, S. Yamada, Y. Kitagawa, T. Kawakami, S. Yamanaka, T. Amaya, T. Hirao
    • Journal Title

      Int. J. Quant. Chem.

      Volume: 113 Issue: 4 Pages: 437-442

    • DOI

      10.1002/qua.24057

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064, KAKENHI-PROJECT-24550024
  • [Journal Article] DFT Calculations of the Heterojunction Effect for Precious Metal Cluster Catalysts2012

    • Author(s)
      M. Okumura
    • Journal Title

      Quantum Systems in Chemistry and Physics : Progress in Methods and Applications

      Volume: 26 Pages: 363-375

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Journal Article] Catalytically highly active top gold atom on palladium nanocluster2012

    • Author(s)
      H. J. Zhang, T. Watanabe, M. Okumura, M. Haruta, N. Toshima
    • Journal Title

      Nature Materials

      Volume: 11 Issue: 1 Pages: 49-52

    • DOI

      10.1038/nmat3143

    • Data Source
      KAKENHI-PROJECT-23350064
  • [Journal Article] Does B3LYP correctly describe magnetism of manganese complexes with various oxidation numbers and various structural motifs?2012

    • Author(s)
      S. Yamanaka, K. kanda, T. Saito, Y. Kitagawa, T. Kawakami, M. Ehara, M. Okumura, H. Nakamura, K. Yamaguchi
    • Journal Title

      CHEMICAL PHYSICS LETTERS

      Volume: 519-20 Pages: 134-140

    • DOI

      10.1016/j.cplett.2011.11.025

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064, KAKENHI-PROJECT-23550016, KAKENHI-PROJECT-24000018
  • [Journal Article] Broken-symmetry Natural Orbital (BSNO)-Mk-MRCC Study on the Exchange Coupling in the Binuclear Copper (II) Compounds2011

    • Author(s)
      T.Saito, M.Okumura, K.Yamaguchi, et al
    • Journal Title

      Chem.Phys.Lett.

      Volume: 505 Issue: 1-3 Pages: 11-15

    • DOI

      10.1016/j.cplett.2011.02.018

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014, KAKENHI-PUBLICLY-22108515
  • [Journal Article] Labile electronic and spin states of the CaMn4O5 cluster in the PSII system refined to the 1.9A X-ray resolution UB3LYP computational results2011

    • Author(s)
      K. Kanda, S. Yamanaka, T. Saito, Y. Umena, K. Kawakami, J. R. Shen, N. Kamiya, M. Okumura, H. Nakamura, K. Yamaguchi
    • Journal Title

      Chem. Phys. Lett

      Volume: 506 Issue: 1-3 Pages: 98-103

    • DOI

      10.1016/j.cplett.2011.02.030

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014, KAKENHI-PROJECT-23550016
  • [Journal Article] Modification of MOF Catalysts by Manipulation of Counter-ions : Experimental and Theoretical Studies of Photochemical Hydrogen Production from Water over Microporous Diruthenium (II, III) Coordination Polymers2011

    • Author(s)
      片岡祐介
    • Journal Title

      Supramolecular Chemistry

      Volume: 23 Issue: 3-4 Pages: 287-296

    • DOI

      10.1080/10610278.2010.527976

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-11J05994, KAKENHI-PROJECT-21550014
  • [Journal Article] Theoretical Studies of Host-Guest Interaction in the Cavity of the Nanoporous [Rh2bza4pyz] n crystal2011

    • Author(s)
      T.Kawakami, M.Okumura, K.Yamaguchi, et al
    • Journal Title

      Polyhedron

      Volume: 30 Issue: 18 Pages: 3292-3297

    • DOI

      10.1016/j.poly.2011.07.021

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014, KAKENHI-PROJECT-23350064
  • [Journal Article] Theoretical Studies on the Electronic Structure of the Synthetic Complex of Soluble Methanemonooxygenase Intermediate Q2011

    • Author(s)
      T.Saito, M.Okumura, K.Yamaguchi, et al
    • Journal Title

      Suplamol.Chem.

      Volume: 23 Issue: 1-2 Pages: 83-87

    • DOI

      10.1080/10610278.2010.510560

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014, KAKENHI-PUBLICLY-22108515
  • [Journal Article] Electron Conductivity in Modified Models of Artificial Metal-DNA Using Green's Function-Based Elastic Scattering Theory (Selected Paper)2011

    • Author(s)
      Y.Nakanishi, Y.Kitagawa, et al
    • Journal Title

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

      Volume: 84 Issue: 4 Pages: 366-375

    • DOI

      10.1246/bcsj.20100207

    • NAID

      130004152889

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-22108515, KAKENHI-PROJECT-22685003, KAKENHI-PROJECT-23350064
  • [Journal Article] Theoretical study of intra- and inter-chain magnetic interactions in [Ni(chxn)(2)Br]Br(2)2011

    • Author(s)
      Y.Kitagawa, M.Okumura
    • Journal Title

      Polyhedron

      Volume: 30 Pages: 3116-3120

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Journal Article] Possible Mechanisms for the O-O Bond Formation in Oxygen Evolution Reaction at the CaMn4O5(H2O) 4 Cluster of PSII refined to 1.9A X-ray Resolution2011

    • Author(s)
      S. Yamanaka, H. Isobe, K. Kanda, T. Saito, Y. Umena, K. Kawakami, J. R. Shen, N. Kamiya, M. Okumura, H. Nakamura, K. Yamaguchi
    • Journal Title

      Chem. Phys. Lett

      Volume: 511 Issue: 1-3 Pages: 138-145

    • DOI

      10.1016/j.cplett.2011.06.021

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014, KAKENHI-PROJECT-23550016
  • [Journal Article] Theoretical Studies on the Structural and Magnetic Property of Arginase Active Site2011

    • Author(s)
      Y.Kitagawa, M.Okumura, K.Yamaguchi, et al
    • Journal Title

      Suplamol.Chem.

      Volume: 23 Issue: 1-2 Pages: 22-29

    • DOI

      10.1080/10610278.2010.506552

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014, KAKENHI-PUBLICLY-22108515
  • [Journal Article] Theoretical studies of d-d and d-pi-d magnetic interactions in (EDT-TTFVO)(2)FeBr(4) crystals2011

    • Author(s)
      M.Takenaka, T.Kawakami,, M.Okumura
    • Journal Title

      Polyhedron

      Volume: 30 Issue: 18 Pages: 3284-3291

    • DOI

      10.1016/j.poly.2011.07.020

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Journal Article] Stable Dispersions of PVP-Protected Au/Pt/Ag Trimetallic Nanoparticles as Highly Active Colloidal Catalysts for Aerobic Glucose Oxidation2011

    • Author(s)
      H. J. Zhang, M. Okumura, N. Toshima
    • Journal Title

      J. Phys. Chem. C

      Volume: 115 Issue: 30 Pages: 14883-14891

    • DOI

      10.1021/jp203457f

    • Data Source
      KAKENHI-PROJECT-23350064
  • [Journal Article] Theoretical Study on Singlet Oxygen Adsorption onto Surface of Graphene-like Aromatic Hydrocarbon Molecules2011

    • Author(s)
      K.Kinoshita, T.Kawakami, K.Yamaguchi, et al
    • Journal Title

      Polyhedron

      Volume: 30 Issue: 18 Pages: 3249-3255

    • DOI

      10.1016/j.poly.2011.04.036

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014, KAKENHI-PROJECT-23350064
  • [Journal Article] Singlet-Triplet Energy Gap for Trimethylenemethane, Oxyallyl Diradical and Related Species : Single and Multi-reference Computational Results2011

    • Author(s)
      Toru Saito
    • Journal Title

      Theoretical Chemistry Accounts

      Volume: 130 Issue: 4-6 Pages: 739-748

    • DOI

      10.1007/s00214-011-0914-z

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-09J01376, KAKENHI-PROJECT-21550014, KAKENHI-PUBLICLY-22108515
  • [Journal Article] Broken-symmetry Natural Orbital(BANO)-Mk-MRCC Study on the Exchange Coupling in the Bunuclear Copper(II) Compounds2011

    • Author(s)
      T. Saito, N. Yasuda, S. Nishihara, S. Yamanaka, Y. Kitagawa, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Chem. Phys. Lett

      Volume: 505 Pages: 11-15

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Symmetry and Broken Symmetry in Molecular Orbital Description of Unstable Molecules IV. Comparison between Single- and Multi-reference Computational Results for Antiaromtic Molecules2011

    • Author(s)
      Toru Saito
    • Journal Title

      Theoretical Chemistry Accounts

      Volume: 130 Issue: 4-6 Pages: 749-763

    • DOI

      10.1007/s00214-011-0941-9

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-09J01376, KAKENHI-PROJECT-21550014, KAKENHI-PUBLICLY-22108515
  • [Journal Article] Unique Structural and Electronic Features of Perferryl-Oxo Oxidant in Cytochrome p-4502011

    • Author(s)
      H. Isobe, S. Yamanaka, M. Okumura, K. Yamaguchi, J. Shimada
    • Journal Title

      J. Phys. Chem

      Volume: A115 Issue: 36 Pages: 10730-10738

    • DOI

      10.1021/jp206004y

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multi-reference Coupled-Cluster Calculations2010

    • Author(s)
      T. Saito, S. Nishihara, Y. Kataoka, Y. Nakanishi, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, K. Yamaguchi
    • Journal Title

      J. Phys. Chem

      Volume: A114 Issue: 30 Pages: 7969-7874

    • DOI

      10.1021/jp102772v

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Theory of Chemical Bonds in Metalloenzymes.XV.Local Singlet and Triplet Diradical Mechanisms for Radical Coupling Reactions in the Oxygen Evolution Complex2010

    • Author(s)
      K.Yamaguchi, M.Shoji, amanaka, M.Okumura Y.Kitagawa, T.Saito, Y.Nakanishi, Y.Kataoka, et al
    • Journal Title

      Int.J.Quant.Chem.

      Volume: 110 Pages: 3101-3128

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Theoretical studies of the effect of orientation of ligands and spin contamination error on the chemical bonding in the Fe02 core in oxymyoglobin2010

    • Author(s)
      T.Saito, Y.Kataoka, Y.Nishihara, T.Matsui, Y.Kitagawa, T.Kawakami, M.Okumura, K.Yamaguchi
    • Journal Title

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

      Volume: 954 Pages: 98-104

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Sequence-dependent proton-transfer reaction in stacked GC pair III: The influence of proton transfer to conductivity2010

    • Author(s)
      Y. Nakanishi, T. Matsui, Y. Shigeta, Y. Kitagawa, T. Saito, Y. Kataoka, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Int.J.Quant.Chem. 110

      Pages: 2221-2230

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Spin contamination error in optimized geometry of singlet crbene by broken-symmetry method.2010

    • Author(s)
      Y. Kitagawa, T. Saito, Y. Nakanishi, Y. Kataoka, T. Matsui, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      J.Chem.Phys.A 113

      Pages: 15041-15046

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Multireference Character of 1, 3-Dipolar Cycloaddition of Ozone with Ethylene and Acrylonitrile2010

    • Author(s)
      T.Saito, S.Nishihara, Y.Kataoka, Y.Nakanishi, Y.Kitagawa, T.Kawakami, S.Yamanaka, M.okumura, K.Yamaguchi
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY A

      Volume: 114 Pages: 12116-12123

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Which Hybrid GGA DFT is Suitable for Cu2O2 Systems if the Spin Contamination Error Is Removed2010

    • Author(s)
      T. Saito, Y. Kataoka, Y. Nakanishi, T. Matsui, Y. Kitagawa, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Chem. Phys

      Volume: 368 Issue: 1-2 Pages: 1-6

    • DOI

      10.1016/j.chemphys.2009.12.014

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Theory of Chemical Bonds in Metalloenzymes. XV. Local Singlet and Triplet Diradical Mechanisms for Radical Coupling Reactions in the Oxygen Evolution Complex2010

    • Author(s)
      K. Yamaguchi, M. Shoji, T. Saito, H. Isobe, S. Nishihara, K. Koizumi, S. Yamada, T. Kawakami, Y. Kitagawa, S. Yamanaka, M. Okumura
    • Journal Title

      Int. J. Quant. Chem

      Volume: 110 Pages: 3101-3128

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] MkMRCC, APUCC, APUBD calculations of didehydronated species : comparison among calculated through-bond effective exchange integrals for diradicals2010

    • Author(s)
      T.Saito, S.Nakanishi, S.Yamanaka, Y.Kitagawa, T.Kawakami, M.Okumura, K.Yamaguchi
    • Journal Title

      MOLECULAR PHYSICS

      Volume: 108 Pages: 2533-2541

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Which hybrid GGA DFT is suitable for Cu2O2 systems if the spin contamination error is removed?2010

    • Author(s)
      T.Satio, Y.Kataoka, Y.Nakanishi, T.Matsui, Y.Kitagawa, T.Kawakami, M.Okumura, K.Yamaguchi
    • Journal Title

      CHEMICAL PHYSICS

      Volume: 368 Pages: 1-6

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] DFT Calculations for the Heterojunction Effect Between Metal Clusters and the Stabilizer Molecules2010

    • Author(s)
      M.Okumura, Y.Kitagawa, T.Kawakami
    • Journal Title

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

      Volume: 110 Pages: 2903-2911

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] MkMRCC, APUCC, APUBD calculations of didehydronated species: comparison among calculated through-bond effective exchange integrals for diradicals2010

    • Author(s)
      T. Saito, S. Nakanishi, S. Yamanaka, Y. Kitagawa, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Molecular Physics 108

      Pages: 2533-2541

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Theory of Chemical Bonds in Metalloenzymes.XIV.Correspondence Between Magnetic Coupling Mode and Radical Coupling Mechanism in Hydroxylations with Methane Monooxygenase and Related Species2010

    • Author(s)
      T.Saito, M.Shoji, H.Isobe, S.Yamanaka, Y.Kitagawa, S.Yamada, T.Kawakami, M.Okumura, K.Yamaguchi
    • Journal Title

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

      Volume: 110 Pages: 2955-2981

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Sequence-Dependent Proton-Transfer Reaction in Stacked GC Pair III : The Influence of Proton Transfer to Conductivity2010

    • Author(s)
      Y.Nakanishi, T.Matsui, Y.Shigeta, Y.Kitagawa, T.Saito, Y.Kataoka, T.Kawakami, M.Okumura, K.Yamaguchi
    • Journal Title

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

      Volume: 110 Pages: 2221-2230

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] UNO- and ULO-MRCC(Mk), AP-UCC and AP-UBD Approaches to Diradical Systems2010

    • Author(s)
      S.Nishihara, S.Yamanaka, T.Saito, Y.Kitagawa, T.Kawakami, M.Okumura, K.Kitagawa
    • Journal Title

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

      Volume: 110 Pages: 3015-3026

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Development of Approximately Spin Projected Energy Derivatives for Biradical Systems2010

    • Author(s)
      Y.Kitagawa, T.Kawakami, M.Okumura, 他4名
    • Journal Title

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

      Volume: 110 Pages: 3053-3060

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Which hybrid GGA DFT is suitable for Cu202 systems if the spin contamination error is removed?2010

    • Author(s)
      T.Saito, Y.Kataoka, Y.Nakanishi, M.Okumura, K.Yamaguchi, et al
    • Journal Title

      Chem.Phys.

      Volume: 368 Pages: 1-6

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] MRCC, APUCC and APUBD Calculations of Didehydropolyene Diradicals, The Nature of Through-Bond Effective Exchange Integrals for Diradicals2010

    • Author(s)
      S, Nishihara, T. Saito, S. Yamanaka, Y. Kitagawa, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Mol. Phys

      Volume: 19 Pages: 2559-2578

    • DOI

      10.1155/2010/908132

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Symmetry and Broken-Symmetry in molecular Orbital descriptions of unstable molecules. 3. The nature of Chemical bonds of spin frustrated systems2010

    • Author(s)
      T. Kawakami, R. Takeda, S. Nishihara, T. Saito, M. Shoji, S. Yamada, S. Yamanaka, Y. Kitagawa, M. Okumura, K. Yamaguchi
    • Journal Title

      J.Phys.Chem.A 113

      Pages: 15281-15297

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] MkMRCC, APUCC and APUBD approaches to 1, n-didehydropolyene diradicals : the nature of through-bond exchange interactions2010

    • Author(s)
      S.Nishihara, T.Saito, S.Yamanaka, Y.Kitagawa, T.Kawakami, M.Okumura, K.Yamaguchi
    • Journal Title

      MOLECULAR PHYSICS

      Volume: 108 Pages: 2559-2578

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Spin Contamination Error in Optimized Geometry of Singlet Carbene ((1)A(1)) by Broken-Symmetry Method2010

    • Author(s)
      Y.Kitagawa, T.Saito, Y.Nakanishi, Y.Kataoka, T.Matsui, T.Kawakami, M.Okumura, K.Yamaguchi
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY A

      Volume: 113 Pages: 15041-15046

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Development of approximately spin projected energy derivatives for biradical systems2010

    • Author(s)
      Y. Kitagawa, T. Saito, Y. Nakanishi, Y. Kataoka, T. Matsui, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Int.J.Quant.Chem. 110

      Pages: 3053-3060

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Symmetry and Broken-Symmetry in Molecular Orbital Descriptions of Unstable Molecules.3.The Nature of Chemical Bonds of Spin Frustrated Systems2010

    • Author(s)
      T.Kawakami, R.Takeda, S.Nishihara, T.Saito, M.Shoji, S.Yamada, S.Yamanaka, Y.Kitagawa, M.Okumura, K.Yamaguchi
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY A

      Volume: 113 Pages: 15281-15297

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Theoretical calculations of magnetic properties of the alpha-, beta-, gamma- and delta-phases of p-NPNN2009

    • Author(s)
      M. Okumura, Y. Nishimura, Y. Kitagawa, T. Kawakami, K. Yamaguchi
    • Journal Title

      Polyhedron 28

      Pages: 1768-1775

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Theoretical studies on magnetic interactions between Cu (II) ions in hydroxypyridone nucleobases2009

    • Author(s)
      Y. Nakanishi, Y. Kitagawa, Y. Shigeta, T. Saito, T. Matsui, H. Miyachi, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Polyhedron 28

      Pages: 1714-1717

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Theoretical investigation of the interaction between oxygen molecules and small Au clusters using approximately spin-projected geometry optimization (AP-opt) method2009

    • Author(s)
      M.Okumura
    • Journal Title

      Catalysis Today 143

      Pages: 282-285

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038036
  • [Journal Article] Theoretical calculations of the pressure effect for the β-phase of p-NPNN2009

    • Author(s)
      M.Okumura, K.Yamaguchi, et al.
    • Journal Title

      Polyhedron 28

      Pages: 1898-1902

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Symmetry and Broken Symmetry in Molecular Orbital Descriptions of Unstable Molecules 3.The Nature of Chemical Bonds of Spin Frustrated Systems2009

    • Author(s)
      T. Kawakami, R. Takeda, S. Nishihara, S. Yamanaka, T. Saito, M. Shoji, S. Yamada, Y. Kitagawa, M. Okumura, K. Yamaguchi
    • Journal Title

      J. Phys. Chem

      Volume: A113 Issue: 52 Pages: 15281-15297

    • DOI

      10.1021/jp905991r

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Theoretical calculations of magnetic properties of the α-, β, γ and δ-phases of p-NPNN2009

    • Author(s)
      M.Okumura, K.Yamaguchi, et al.
    • Journal Title

      Polyhedron 28

      Pages: 1768-1775

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] Theoretical calculations of the pressure effect for the beta-phase p-NPNN2009

    • Author(s)
      M.Okumura
    • Journal Title

      Polyhedron 28

      Pages: 1898-1902

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Theoretical studies on magnetic interactions between Cu(II) ions in salen nucleobases2009

    • Author(s)
      Y. Nakanishi, Y. Kitagawa, Y. Shigeta, T. Saito, T. Matsui, H. Miyachi, T. Kawakami, M. Okumura, Y. Kitagawa
    • Journal Title

      Polyhedron 28

      Pages: 1945-1949

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Resonating Coupled-Cluster CI Approach to Ion-Radical Systems : Comparison with the unrestricted Coupled-Cluster Approach2009

    • Author(s)
      S. Yamanaka, S. Nishihara, K. Nakata, Y. Yonezawa, M. Okumura, T. Takada, H. Nakamura, K. Yamaguchi
    • Journal Title

      Int. J. Quant. Chem

      Volume: 109 Issue: 15 Pages: 3811-3818

    • DOI

      10.1002/qua.22441

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] クラスター触媒の電子状態の理論的研究2009

    • Author(s)
      奥村光隆
    • Journal Title

      生産と技術 61

      Pages: 1-4

    • NAID

      40016883800

    • Data Source
      KAKENHI-PROJECT-20037048
  • [Journal Article] Theoretical studies on effects of hydrogen bonds attaching to cysteine ligands on 4Fe-4S clusters2009

    • Author(s)
      Y. Kitagawa, M. Shoji, T. Saito, Y. Nakanishi, K. Koizumi, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Int.J.Quant.Chem. 108

      Pages: 2881-2887

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Theoretical calculations of magnetic properties of the alpha-, beta-, gamma-and delta-phases of p-NPNN2009

    • Author(s)
      M.Okumura
    • Journal Title

      Polyhedron 28

      Pages: 1768-1775

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Quantum dynamic simulations for single molecular magnets using anisotropic spin models2009

    • Author(s)
      T. Kawakami, H. Nitta, M. Takahata, M. Shoji, Y. Kitagawa, M. Nakano, M. Okumura, K. Yamaguchi
    • Journal Title

      Polyhedron 28

      Pages: 2092-2096

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Symmetry and Broken-Symmetry in Molecular Orbital Descriptions of Unstable Molecules. 3. The Nature Bonds of Spin Frustrated Systems2009

    • Author(s)
      T. Kawakami, Y. Kitagawa (8番), M. Okumura (9番), 他7名
    • Journal Title

      J. Phys. Chem. A 113

      Pages: 15281-15297

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] 計算機シミュレーションによる物質設計2009

    • Author(s)
      奥村光隆
    • Journal Title

      東海化学工業会会報 262

      Pages: 9-13

    • Data Source
      KAKENHI-PROJECT-20037048
  • [Journal Article] Theoretical investigation of the interaction between oxygen molecules and small Au clusters using approximately spin-projected geometry optimization (AP-opt) method2009

    • Author(s)
      M.Okumura
    • Journal Title

      Catalysis Today 143

      Pages: 282-285

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Journal Article] Transition State Optimization Based on Approximate Spin-projected(AP) method2009

    • Author(s)
      T. Saito, S. Nishihara, Y. Kataoka, Y. Nakanishi, T. Matsui, Y. Kitagawa, T. Kawakami, M. Okumura, K. Yamaguchi
    • Journal Title

      Chem. Phys. Lett

      Volume: 483 Pages: 168-171

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550014
  • [Journal Article] DFT Study for the Heterojunction Effect in the Precious Metal Clusters2008

    • Author(s)
      M. Okumura
    • Journal Title

      Mt. J Quant. Chem 108

      Pages: 2888-2895

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Journal Article] Theoretical Calculations of the Characteristics of Precious Metal Clusters2008

    • Author(s)
      M. Okumura
    • Journal Title

      AIP conf. Proc. 1046

      Pages: 28-31

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Journal Article] Theoretical Calculations of the Characteristics of Precious Metal Clusters2008

    • Author(s)
      M. Okumura
    • Journal Title

      AIP conf. Proc. 1046

      Pages: 28-31

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038036
  • [Journal Article] Theoretical investigation of the hetero-junction effect in PVP-stabilized Au-13 clusters. The role of PVP in their catalytic activities2008

    • Author(s)
      M. Okumura
    • Journal Title

      Chem. Phys. Lett. 459

      Pages: 133-136

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Journal Article] DFT studies of the characteristics of Pd-Pt core-shell clusters2008

    • Author(s)
      M. Okumura
    • Journal Title

      Res. Chem. Inter 34

      Pages: 737-742

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Journal Article] Theoretical studies of magnetic interaction of organic □-radicals on gold cluster surface2007

    • Author(s)
      M. Okumura
    • Journal Title

      Polyhedron 26

      Pages: 2179-2182

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] A GSO-HDFT study of noncollinear spin structures of [2Fe-2S] cluster2007

    • Author(s)
      M. shoji, K. Koizumi, R. Takeda, Y. Kitagawa, S. Yamanaka, M. Okumura, K. Yamaguchi
    • Journal Title

      Polyhedron 26

      Pages: 2335-2341

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Theoretical studies of magnetic interaction of organic pi-radicals on gold surface2007

    • Author(s)
      M. Okumura, Y. kitagawa, T. Kawakami, K. yamaguchi
    • Journal Title

      Polyhedron 26

      Pages: 2179-2182

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] Ab initio studies on the zero-field splitting parameters of manganese porphyrin complexes2007

    • Author(s)
      R. Takeda, K. Koizumi, M. Shoji, H. Nitta, S. Yamanaka, M. Okumura, K. Yamaguchi
    • Journal Title

      Polyhedron 26

      Pages: 2309-2312

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Journal Article] DFT studies of interaction of Ir cluster with 02, CO and NO2006

    • Author(s)
      M.Okumura
    • Journal Title

      Catal. Today 111

      Pages: 311-315

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] DFT studies of interactin of Ir cluster with O2,CO and NO2006

    • Author(s)
      M.Okumura
    • Journal Title

      Catal.Today 111

      Pages: 311-315

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] DFT studies of interaction of Ir cluster with 0_2, CO and NO2006

    • Author(s)
      M.Okumura
    • Journal Title

      Catalysis Today 111

      Pages: 311-315

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Three-dimensional mesoporous titanosilicates prepared by modified sol-gel method : Ideal gold catalyst supports for enhanced propene epoxidation2005

    • Author(s)
      AK.Shinha, M.Okumura, et al.
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY B 109

      Pages: 3956-3965

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Mechanistic insights in charge-transfer-induced luminescence of 1,2-dioxetanones with a substituent of low oxidation potential2005

    • Author(s)
      H.Isobe, M.Okumura, et al.
    • Journal Title

      J. Am. Chem. Soc. 127

      Pages: 8667-8679

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies of magnetic interaction in organic π-radical and Gold cluster hybrid systems2005

    • Author(s)
      M.Okumura
    • Journal Title

      Polyhedron 24

      Pages: 2330-2336

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] _2005

    • Author(s)
      M.Okumura
    • Journal Title

      Applied Catalysis A, 291

      Pages: 37-44

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Chemical bonding, less screening, and Hund's rule revisited2005

    • Author(s)
      S.Yamanaka, M.Okumura, et al.
    • Journal Title

      Int.J.Quant.Chem. 105

      Pages: 687-700

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] TEM observation of gold nanoparticles deposited on cerium oxid2005

    • Author(s)
      T.Akita, M.Okumura, et al.
    • Journal Title

      Journal of Material Science 40

      Pages: 3101-3106

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Chemical bonding, less screening, and Hund's rule revisited2005

    • Author(s)
      S.Yamanaka, M.Okumura, et al.
    • Journal Title

      Int. J. Quant. Chem. 105

      Pages: 687-700

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Mechanistic insights in charge-transfer-induced luminescence of 1,2-dioxetanones with a substituent of low oxidation potential2005

    • Author(s)
      H.Isobe, M.Okumura, et al.
    • Journal Title

      J.Am.Chem.Soc. 127

      Pages: 8667-8679

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] The interaction of neutral and charged Au clusters with O_2,CO and H_22005

    • Author(s)
      M.Okumura
    • Journal Title

      Applied Catalysis A 291

      Pages: 37-44

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] The interaction of neutral and charged Au clusters with O_2, CO and H_22005

    • Author(s)
      M.Okumura
    • Journal Title

      Applied Catalysis A 291

      Pages: 37-44

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies of magnetic interaction in π-radical thiol and Gold hybrid systems2005

    • Author(s)
      M.Okumura
    • Journal Title

      Synthetic Metals 154

      Pages: 313-316

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Vapor-phase epoxidation of propylene using H_2/O_2 mixture over gold catalysts supported on non-porous and mesoporous titania-silica : effect of preparation conditions and pretreatments prior to reaction2004

    • Author(s)
      C.Qui, M.Okumura et al.
    • Journal Title

      Applied Catalysis A : General 263

      Pages: 19-26

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Effect of Impurity and Pretreatment Conditions on the Catalytic Activity of Au Powder for CO Oxidation2004

    • Author(s)
      Y.Iizuka, M.Okumura et al.
    • Journal Title

      Catal. Lett. 97

      Pages: 203-208

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Vapor-phase epoxidation of propylene using H_2/O_2 mixture over gold catalysts supported on non-porous and mesoporous titania-silica : effect of preparation conditions and pretreatments prior to reaction2004

    • Author(s)
      C.Qi, M.Okumura et al.
    • Journal Title

      Applied Catalysis A : General 263

      Pages: 19-26

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theory of chemical bonds in metalloenzymes I : Analytical and hybrid-DFT studies on oxo and hydroxo diiron cores2004

    • Author(s)
      M.Shoji, M.Okumura et al.
    • Journal Title

      Int. J. Quant. Chem. 100

      Pages: 887-906

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Kodansha Scientific2004

    • Author(s)
      M.Okumura
    • Journal Title

      Bussei Ryoushikagaku nyumon

      Pages: 288-288

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Effect of Impurity and Pretreatment Conditions on the Catalytic Activity of Au Powder for CO Oxidation2004

    • Author(s)
      Y.Iizuka, M.Okumura et al.
    • Journal Title

      Catal.Lett. 97

      Pages: 203-208

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Structural analyses by TEM of iridium deposited on TiO_2 powder and rutile single crystal2004

    • Author(s)
      T.Akita, M.Okumura et al.
    • Journal Title

      J. Electron Microscopy 53

      Pages: 29-35

    • NAID

      10012715892

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Structural analyses by TEM of iridium deposited on TiO_2 powder and rutile single crystal2004

    • Author(s)
      T.Akita, M.Okumura et al.
    • Journal Title

      J. Electron Microsc 53

      Pages: 29-35

    • NAID

      10012715892

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies on effective exchange integrals by using spin correlation function analysis and magnetic effective density functional (MEDF) method2004

    • Author(s)
      Y.Kitagawa, M.Okumura et al.
    • Journal Title

      Int.Quant.Chem 100

      Pages: 927-936

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Local barrier height of Ir/TiO_2 model catalysts2004

    • Author(s)
      Y.Maeda, M.Okumura et al.
    • Journal Title

      Jpn. J. Appl. Phys. 43

      Pages: 4595-4598

    • NAID

      10013431574

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theory of chemical bonds in metalloenzymes I : Analytical and hybrid-DFT studies on oxo and hydroxo diiron cores2004

    • Author(s)
      M.Shoji, M.Okumura et al.
    • Journal Title

      Int.J.Quant.Chem. 100

      Pages: 887-906

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Local barrier height of Ir/TiO_2 model catalysts2004

    • Author(s)
      Y.Maeda, M.Okumura et al.
    • Journal Title

      Jpn.J.Appl.Phys. 43

      Pages: 4595-4598

    • NAID

      10013431574

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies on effective exchange integrals by using spin correlation function analysis and magnetic effective density functional (MEDF)2004

    • Author(s)
      Y.Kitagawa, M.Okumura et al.
    • Journal Title

      Int. Quant. Chem. 100

      Pages: 927-936

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] DFT studies of the characteristics of Pd-Pt core/shell type clusters

    • Author(s)
      M., Okumura
    • Journal Title

      Research on Chemical Intermediates (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19028040
  • [Journal Article] Theoretical studies of magnetic interaction of organic π-radicals on gold cluster surface

    • Author(s)
      M.Okumura
    • Journal Title

      Polyhedron (in press)

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies of magnetic interaction of organic π-radicals on gold cluster surface

    • Author(s)
      M.Okumura
    • Journal Title

      Polyhedron (in press)

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies of magnetic interaction of organic π-radicals on gold cluster surface

    • Author(s)
      M.Okumura
    • Journal Title

      Polyhedron (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical study of H2-0 and 02 adsorption on Au small clusters

    • Author(s)
      M.Okumura
    • Journal Title

      Gold Bulletin (in press)

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical Investigation for the Optical Properties of Diphosphine Protected Au8 Cluster Complexes

    • Author(s)
      S. Hayashi, M. Okumura, Y. Kitagawa, T. Kawakami, S. Yamanaka
    • Journal Title

      Chem. Lett

      Volume: (in press)

    • Data Source
      KAKENHI-PROJECT-23350064
  • [Journal Article] Theoretical study of H2-O and 02 adsorption on Au small clusters

    • Author(s)
      M.Okumura
    • Journal Title

      Gold Bulletin (in press)

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical Calculations of the Characteristics of Precious Metal Clusters

    • Author(s)
      M., Okumura
    • Journal Title

      AIP proceedings of ICCMSE2007 (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19028040
  • [Journal Article] Theoretical study of H_20 and 0_2 adsorption on Au small clusters

    • Author(s)
      M.Okumura
    • Journal Title

      Gold Bulletin (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies of magnetic interaction in organic π-radical and Gold cluster hybrid systems

    • Author(s)
      M.Okumura
    • Journal Title

      Polyhedron (印刷中)

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Journal Article] Theoretical studies of magnetic interaction in π-radical thiol and Gold hybrid systems

    • Author(s)
      M.Okumura
    • Journal Title

      Synthetic Metals (印刷中)

    • Data Source
      KAKENHI-PROJECT-16350011
  • [Presentation] La2O3に担持された金クラスター触媒によるアリルアルコールの異性化についての理論的研究(2024

    • Author(s)
      中山聖矢・石丸優樹・徳永信・奥村光隆
    • Organizer
      第133回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 金担持チタノシリケート触媒モデル上でのプロピレンエポキシ化と競合する水素化反応の理論的研究2024

    • Author(s)
      濱田諭敬・石丸優樹・川上貴資・山中秀介・奥村光隆
    • Organizer
      第133回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 金ナノ粒子担持ポリオキソメタレート触媒による低温CO酸化反応における水分子の影響に関する理論的研究2024

    • Author(s)
      米森朋久・村山徹・川上貴資・山中秀介・奥村光隆
    • Organizer
      第133回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 貴金属担持光触媒を用いた第一級アミン合成に関する理論的研究2024

    • Author(s)
      鳥屋尾太樹・大熊健太・川上貴資・山中秀介・奥村光隆
    • Organizer
      第133回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 貴金属担持光触媒を用いた第一級アミン合成に関する理論的研究2024

    • Author(s)
      鳥屋尾 太樹,大熊 健太,川上 貴資, 山中 秀介, 奥村 光隆
    • Organizer
      第133回触媒討論会
    • Data Source
      KAKENHI-PROJECT-22H00274
  • [Presentation] Au担持NiO触媒を用いたアリルアルコール異性化反応に関する理論的研究2024

    • Author(s)
      石丸優樹・中山聖矢・徳永信・奥村光隆
    • Organizer
      第133回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 白金担持酸化チタン光触媒を用いた第1級アミン合成 に関する理論的研究2023

    • Author(s)
      鳥屋尾 太樹,大熊 健太,川上 貴資, 山中 秀介, 奥村 光隆
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-22H00274
  • [Presentation] 金担持触媒の接合界面における活性化機構の理論的研究2023

    • Author(s)
      奥村光隆
    • Organizer
      ESICBシンポジウム2023
    • Invited
    • Data Source
      KAKENHI-PROJECT-22H00274
  • [Presentation] チタノシリケート担持金触媒を用いたプロピレンエポキシ化反応に関する理論的研究2023

    • Author(s)
      濱田諭敬、川上貴資、山中秀介、奥村光隆
    • Organizer
      第131回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 金担持酸化チタン触媒を用いた第一級アミン合成に関する理論的研究2023

    • Author(s)
      大熊 健太,鳥屋尾 太樹,川上 貴資,山中 秀介,奥村 光隆
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] Au/ZnO界面における酸素欠陥効果に関する理論研究2023

    • Author(s)
      米森 朋久、奥村 光隆
    • Organizer
      日本科学界第103春季年会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 金担持酸化チタン触媒を用いた第一級アミン合成に関する理論的研究2023

    • Author(s)
      大熊 健太,鳥屋尾 太樹,川上 貴資,山中 秀介,奥村 光隆
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-22H00274
  • [Presentation] ポリオキソメタレート上に担持した金ナノ粒子触媒によるCO酸化に関する理論研究2023

    • Author(s)
      米森朋久、村山徹、奥村光隆
    • Organizer
      第131回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 白金担持酸化チタン光触媒を用いた第1級アミン合成 に関する理論的研究2023

    • Author(s)
      鳥屋尾 太樹,大熊 健太,川上 貴資 , 山中 秀介, 奥村 光隆
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] プロピレンエポキシ化反応における 金担持チタノシリケート触媒のサイズ効果の検討2023

    • Author(s)
      濱田 諭敬,川上 貴資,山中 秀介,奥村 光隆
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 多孔性ポリオキソメタレート担持金属触媒による 活性酸素種の生成機構に関する理論研究2023

    • Author(s)
      米森朋久,村山徹,川上貴資 , 山中秀介, 奥村光隆
    • Organizer
      第17回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 金担持触媒の接合界面における活性化機構の理論的研究2023

    • Author(s)
      奥村光隆
    • Organizer
      ESICBシンポジウム2023
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] Auナノクラスター触媒のソフトルイス酸的挙動2022

    • Author(s)
      吉田 光結、奥村 光隆
    • Organizer
      第130回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] Au/NiO触媒上でのアリルアルコール異性化反応に関する理論的研究2022

    • Author(s)
      藤丸 航志、山中 秀介、川上 貴資、徳永 信、奥村 光隆
    • Organizer
      第130回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 金担持酸化チタン触媒を用いた第一級アミン合成に関する理論的研究2022

    • Author(s)
      大熊健太,奥村光隆
    • Organizer
      第131回触媒討論会
    • Data Source
      KAKENHI-PROJECT-22H00274
  • [Presentation] チタノシリケート担持金触媒を用いたプロピレン選択酸化反応に関する理論的研究2022

    • Author(s)
      濱田 諭敬、川上 貴資、山中 秀介、奥村 光隆
    • Organizer
      第130回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] Effect of ceria and zirconia supports on NO reduction over platinum-groupmetal catalysts: A DFT study with comparative experiments2021

    • Author(s)
      H. Koga, M. Okumura
    • Organizer
      MRM2021
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] Auナノクラスター触媒のソフトルイス酸的挙動2021

    • Author(s)
      吉田光結、奥村光隆
    • Organizer
      第128回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 脱硝触媒探索に向けた理論的研究ー接合界面の重要性2021

    • Author(s)
      奥村光隆
    • Organizer
      第128回触媒討論会
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] Theoretical study for the hetero-junction effect of nano cluster catalysts2021

    • Author(s)
      奥村光隆
    • Organizer
      Pacifichem2021
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] Au/NiO触媒上でのアリルアルコールの異性化反応に関する理論的研究2021

    • Author(s)
      藤丸 航志、奥村 光隆、多田 幸平、徳永 信
    • Organizer
      応物関西支部講演会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] プロピレンのエポキシ化におけるAu/ZrO2触媒の性質2021

    • Author(s)
      其浦 文香、林 亮秀、安渡 佳典、古賀 裕明、奥村 光隆
    • Organizer
      第128回触媒討論会
    • Data Source
      KAKENHI-PROJECT-21K04994
  • [Presentation] 酸化チタン担持金触媒を用いたプロピレンの酸化における酸素欠損の効果に関する理論的研究2020

    • Author(s)
      三嶋夕稀・林哲也・古賀裕明・林亮秀・安渡佳典・川上貴資・山中秀介・奥村光隆
    • Organizer
      第125回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 酸化チタン担持金触媒を用いたプロピレンの酸化における酸素欠損の効果に関する理論的研究(ポスター)2020

    • Author(s)
      三嶋夕稀・林哲也・古賀裕明・林亮秀・安渡佳典・川上貴資・山中秀介・奥村光隆
    • Organizer
      第125回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 不均一系触媒のハイスループット設計へ向けた新規な DFT 計算モデル自動最適化法の提案2020

    • Author(s)
      丸山智大・多田幸平・大成仁太・北川甲コリン・川上貴資・山中秀介・奥村光隆
    • Organizer
      第125回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Au-Ni 触媒のヘテロ接合効果に関する理論的研究2019

    • Author(s)
      安渡佳典、林亮秀、川上貴資、山中秀介、石田玉青、徳永信、奥村光隆
    • Organizer
      第123回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Au-Ni触媒のヘテロ接合効果に関する理論的研究2019

    • Author(s)
      安渡佳典・林亮秀・川上貴 資・山中秀介・石田玉青・徳永信・奥村光隆
    • Organizer
      第124回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 貴金属担持触媒のルイス酸的挙動に関する理論的研究2019

    • Author(s)
      信藤紘樹・林亮秀・安渡佳典・林哲矢・川上貴 資・山中秀介・奥村光隆
    • Organizer
      第124回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 貴金属担持触媒のソフトルイス酸的挙動に関する理論的研究2019

    • Author(s)
      信藤紘樹、林哲矢、林亮秀、安渡佳典、川上貴資、山中秀介、奥村光隆
    • Organizer
      第123回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] パラジウムクラスターによる末端アルケンのアセトキシ化反応についての理論的研究2019

    • Author(s)
      三 橋龍馬・林亮秀・安渡佳典・川上貴資・山中秀介・徳永信・奥村光隆
    • Organizer
      第124回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Au-Ni 触媒のヘテロ接合効果に関する理論的研究2018

    • Author(s)
      安渡佳典、林亮秀、川上貴資、山中秀介、石田玉青、徳永信、奥村光隆
    • Organizer
      第122回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Theoretical Study for Catalysis by Au NCs2018

    • Author(s)
      奥村光隆
    • Organizer
      Asiannano2018
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Theoretical study for the hetro-junction effect of Au catalysts2018

    • Author(s)
      奥村光隆
    • Organizer
      ICPAC2018
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 金担持触媒のソフトルイス酸的挙動に関する理論的研究2018

    • Author(s)
      信藤紘樹、林哲矢、林亮秀、安渡佳典、川上貴資、山中秀介、奥村光隆
    • Organizer
      第122回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] ヘテロ接合界面を用いた触媒機能発現に関する理論的研究2017

    • Author(s)
      奥村光隆
    • Organizer
      第120回触媒討論会
    • Invited
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] ポリマー固定化金ナノクラスター触媒の小僧と活性相関に対する理論的研究2017

    • Author(s)
      安渡佳典、林亮秀、川上貴資、山中秀介、奥村光隆
    • Organizer
      第11回分子化学討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Theoretical investigation for Catalysis by Gold2017

    • Author(s)
      奥村光隆
    • Organizer
      香港大学大阪大学ジョイントシンポジウム
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 金属酸化物/金属逆接合におけるNO-CO反応の密度汎関数法による検討2017

    • Author(s)
      古賀裕明、多田幸平、林亮秀、安渡佳典、奥村光隆
    • Organizer
      第120回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Theoretical Investigation of the catalytic activities for Au cluster catalysts2017

    • Author(s)
      奥村光隆
    • Organizer
      GratamaWorkshop2017
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] Catalysis by Au Nanoclusters: Interplay of Theoretical Calculations and Experiments2017

    • Author(s)
      奥村光隆
    • Organizer
      AWEST2017
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 金ナノクラスター触媒におけるアリルアルコールの異性化反応に関する理論的研究2017

    • Author(s)
      奥村光隆,林亮秀,安渡佳典,石田玉青,村山美乃,徳永信
    • Organizer
      第121回触媒討論会
    • Data Source
      KAKENHI-PROJECT-17K05752
  • [Presentation] 金クラスター上でのアリルアルコール異性化反応の理論的研究2014

    • Author(s)
      奥村光隆
    • Organizer
      第113回触媒討論会
    • Place of Presentation
      ロワジールホテル豊橋
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 計算科学からみたAu担持触媒2014

    • Author(s)
      奥村光隆
    • Organizer
      触媒学会 表面化学と触媒設計の融合研究会
    • Place of Presentation
      東京大学
    • Invited
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 理論計算によるナノクラスター触媒の触媒特性解明2013

    • Author(s)
      奥村光隆
    • Organizer
      触媒・電池材料元素戦略研究拠点第2回公開シンポジウム
    • Place of Presentation
      京都大学桂キャンパス
    • Invited
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 触媒設計のための量子化学2013

    • Author(s)
      奥村光隆
    • Organizer
      第 23 回キャラクタリゼーション講習会
    • Place of Presentation
      九州大学筑紫キャンパス
    • Invited
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 理論計算による貴金属クラスター触媒の機能解明を目指して2013

    • Author(s)
      奥村光隆
    • Organizer
      触媒討論会
    • Place of Presentation
      秋田大学
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 理論計算によるナノクラスター触媒の触媒特性解明2013

    • Author(s)
      奥村光隆
    • Organizer
      触媒・電池材料元素戦略研究拠点第二回公開シンポジウム
    • Place of Presentation
      京都大学桂キャンパス
    • Year and Date
      2013-03-18
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 理論計算 による貴金属クラスター 触媒の機能解明を目指して2013

    • Author(s)
      奥村光隆
    • Organizer
      第112回触媒討論会
    • Place of Presentation
      秋田大学
    • Invited
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] Theoretical Investigation of the charactristics of Polymer Stabilized Gold Cluster2013

    • Author(s)
      奥村光隆
    • Organizer
      Gold 2012
    • Place of Presentation
      新宿京王プラザホテル
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 高分子保護金触媒 によるアルコール酸化反 応の理論的研究2012

    • Author(s)
      奥村光隆
    • Organizer
      触媒討論会
    • Place of Presentation
      九州大学伊都キャンパス
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] Theoretical Investigation of the Characteristics of Polymer Stabilized Gold Clusters2012

    • Author(s)
      M.Okumura
    • Organizer
      GOLD2012
    • Place of Presentation
      新宿京王プラザホテル
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] Theoretical investigation of the hetero-junction effect in polymer stabilized precious metal clsuters2012

    • Author(s)
      奥村光隆
    • Organizer
      GRI Symposium III on Cluster Science
    • Place of Presentation
      トヨタコンポン研(愛知)(招待講演)
    • Year and Date
      2012-02-08
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] Theoretical investigation of the hetero-junction effect in polymer stabilized precious metal clsuters2012

    • Author(s)
      奥村光隆
    • Organizer
      GRI Symposium III on Cluster Science
    • Place of Presentation
      トヨタコンポン研(愛知)
    • Year and Date
      2012-02-08
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] DFT Calculations for the Hetero-Junction Effect for Precious Metal Cluster catalysts2011

    • Author(s)
      奥村光隆
    • Place of Presentation
      石川県立美術館(石川県)
    • Year and Date
      2011-09-09
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] Theoretical investigation for the stability of the Concave-Bound Cyclopentadienyl Iron Complex of Sumanene2011

    • Author(s)
      奥村光隆
    • Organizer
      ISTCP-VII
    • Place of Presentation
      早稲田大学(東京都)
    • Year and Date
      2011-09-06
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] Theoreitcal Calculations for the Hetero-Junction Effect for Precious Metal Cluster catalysts2011

    • Author(s)
      奥村光隆
    • Organizer
      ICCMSE-2011
    • Place of Presentation
      G-Hotel Halkidiki(ギリシャ)
    • Year and Date
      2011-10-07
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] Theoretical investigation for the stability of the Concave-Bound Cyclopentadienyl Iron Complex of Sumanene2011

    • Author(s)
      奥村光隆
    • Organizer
      ISTCP-VII
    • Place of Presentation
      早稲田大学(東京都)(招待講演)
    • Year and Date
      2011-09-06
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] DFT Calculations for the Hetero-Junction Effect for Precious Metal Cluster catalysts2011

    • Author(s)
      奥村光隆
    • Organizer
      QSCP-XVI
    • Place of Presentation
      石川県立美術館(石川県)(招待講演)
    • Year and Date
      2011-09-09
    • Data Source
      KAKENHI-PROJECT-23350064
  • [Presentation] 擬縮重多電子系に対する理論計算-実在系へのアプローチ-2010

    • Author(s)
      奥村光隆
    • Organizer
      シンポジウム「電子状態の新機軸」
    • Place of Presentation
      分子科学研究所
    • Year and Date
      2010-08-09
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 近似スピン射影post-UHF法の1,3-双極子付加環化反応への適用2010

    • Author(s)
      斎藤徹、北河康隆、奥村光隆
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-16
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] グラフェンへの酸素分子の吸着に関する理論的研究2010

    • Author(s)
      木下啓二、川上貴資、奥村光隆
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-16
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 弾性散乱グリーン関数法による電気伝導計算の開殻系へ応用2010

    • Author(s)
      中西康之、北河康隆、奥村光隆
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-15
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] Theoretical investigation of the heterojunciton effect in polymer stabilized precious metal clusters2010

    • Author(s)
      M.Okumura
    • Organizer
      13th International Conference on Theoretical Aspects of Catalysis
    • Place of Presentation
      松島(宮城県)
    • Year and Date
      2010-06-25
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 擬縮重多電子系に対する理論計算-実在系へのアプローチ-2010

    • Author(s)
      奥村光隆
    • Organizer
      シンポジウム「電子状態理論の新機軸」
    • Place of Presentation
      分子科学研究所(愛知県)(招待講演)
    • Year and Date
      2010-08-09
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 貴金属超微粒子の特性と接合効果2009

    • Author(s)
      奥村光隆
    • Organizer
      ナノ構造触媒研究会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-11-20
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Presentation] Theoretical calculations for organic and related molecular open shell compounds2009

    • Author(s)
      M.Okumura
    • Organizer
      3^<rd> Japanese-Russian Workshop
    • Place of Presentation
      淡路島・淡路島舞台国際会議場
    • Year and Date
      2009-11-17
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 貴金属超微粒子の特性と接合効果2009

    • Author(s)
      奥村光隆
    • Organizer
      ナノ構造触媒研究会
    • Place of Presentation
      名古屋・名古屋大学
    • Year and Date
      2009-11-20
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] Theoretical calculations for organic and related molecular open shell compounds2009

    • Author(s)
      奥村光隆
    • Organizer
      3rd Japanese Russian Workshop
    • Place of Presentation
      ウェスティンホテル淡路
    • Year and Date
      2009-11-17
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 貴金属超微粒子の特性と接合効果2009

    • Author(s)
      奥村光隆
    • Organizer
      ナノ構造触媒研究会
    • Place of Presentation
      名古屋大
    • Year and Date
      2009-11-20
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] Theoretical calculations for organic and related molecular open shell compounds2009

    • Author(s)
      M.Okumura
    • Organizer
      3^<rd> Japanese-Russian Workshop
    • Place of Presentation
      淡路島・淡路夢舞台国際会議場
    • Year and Date
      2009-11-17
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Presentation] Theoretical Calculations for organic and related molecular open shell compounds2009

    • Author(s)
      M. Okumura
    • Organizer
      3^<rd> Japanese-Russian Workshop
    • Place of Presentation
      Awaji island
    • Year and Date
      2009-11-17
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 貴金属クラスターの電子状態の理論計算-ヘテロ接合の観点から2008

    • Author(s)
      奥村光隆
    • Organizer
      第39回触媒サマーセミナー
    • Place of Presentation
      箱根
    • Year and Date
      2008-08-05
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Presentation] Theoretical calculations of magnetic properties of the alpha-, beta-, gamma- and delta-phases of p-NPNN2008

    • Author(s)
      M. Okumura
    • Organizer
      ICMM2008
    • Place of Presentation
      フイレンツェ
    • Year and Date
      2008-09-23
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] Theoretical calculations of the pressure effects for the beta-phase of p-NPNN2008

    • Author(s)
      M., Okumura
    • Organizer
      ICMM2008
    • Place of Presentation
      フイレンツェ
    • Year and Date
      2008-09-23
    • Data Source
      KAKENHI-PROJECT-19350070
  • [Presentation] 貴金属クラスターのヘテロ接合による電子状態変化の理論的研究2008

    • Author(s)
      奥村光隆
    • Organizer
      元素戦略・ナノクラスター連続研究会
    • Place of Presentation
      岡崎
    • Year and Date
      2008-12-10
    • Data Source
      KAKENHI-PROJECT-20038036
  • [Presentation] 貴金属クラスターのヘテロ接合効果に関する理論的研究2008

    • Author(s)
      奥村光隆
    • Organizer
      第102回触媒討論会
    • Place of Presentation
      名古屋
    • Year and Date
      2008-09-26
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Presentation] 貴金属クラスターのヘテロ接合による電子状態変化の理論的研究2008

    • Author(s)
      奥村光隆
    • Organizer
      元素戦略・ナノクラスター連続研究会
    • Place of Presentation
      岡崎
    • Year and Date
      2008-12-10
    • Data Source
      KAKENHI-PROJECT-20037048
  • [Presentation] 貴金属クラスターの電子状態の理論計算・ヘテロ接合の観点から2008

    • Author(s)
      奥村光隆
    • Organizer
      第39回触媒サマーセミナー
    • Place of Presentation
      箱根
    • Year and Date
      2008-08-05
    • Data Source
      KAKENHI-PROJECT-20038036
  • [Presentation] 貴金属クラスターの接合効果に関する理論的研究2007

    • Author(s)
      奥村光隆
    • Organizer
      触媒討論会
    • Place of Presentation
      札幌
    • Year and Date
      2007-09-19
    • Data Source
      KAKENHI-PROJECT-19028040
  • [Presentation] Theoretical Calculations of the Characteristics of Precious Metal Clusters2007

    • Author(s)
      M, Okumura
    • Organizer
      ICCMSE 2007
    • Place of Presentation
      ギリシャ
    • Year and Date
      2007-09-27
    • Data Source
      KAKENHI-PROJECT-19028040
  • [Presentation] Theoretical Calculations of the Characteristics of Precious Metal Clusters2007

    • Author(s)
      M. Okumura
    • Organizer
      ICCMSE 2007
    • Place of Presentation
      ギリシャ
    • Year and Date
      2007-09-27
    • Data Source
      KAKENHI-PROJECT-19350070
  • 1.  KAWAKAMI Takashi (30321748)
    # of Collaborated Projects: 8 results
    # of Collaborated Products: 46 results
  • 2.  KITAGAWA Yasutaka (60362612)
    # of Collaborated Projects: 8 results
    # of Collaborated Products: 45 results
  • 3.  YAMANAKA Syuusuke (10324865)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 28 results
  • 4.  NAGAO Hidemi (30291892)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 5.  YAMAGUCHI Kizashi (80029537)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 21 results
  • 6.  KAMIYA Nobuo (60152865)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 2 results
  • 7.  SHEN Kenjin (60261161)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 2 results
  • 8.  NAKAMURA Haruki (80134485)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 3 results
  • 9.  吉田 寿雄 (80273267)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 10.  古南 博 (00257966)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 11.  熊谷 純 (20303662)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 12.  藤田 健一 (80293843)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 13.  多田 幸平
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 3 results
  • 14.  片岡 祐介
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 2 results
  • 15.  古賀 裕明
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 16.  徳永 信
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 17.  村山 美乃
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 18.  山本 英治
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results

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