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Theoretical study of the interaction between polymer materials

Research Project

Project/Area Number 17H03117
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Polymer/Textile materials
Research InstitutionKyushu University

Principal Investigator

Yoshizawa Kazunari  九州大学, 先導物質化学研究所, 教授 (30273486)

Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Fiscal Year 2019: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2018: ¥6,240,000 (Direct Cost: ¥4,800,000、Indirect Cost: ¥1,440,000)
Fiscal Year 2017: ¥6,890,000 (Direct Cost: ¥5,300,000、Indirect Cost: ¥1,590,000)
Keywords接着 / 量子化学 / エポキシ樹脂 / 計算化学 / 界面化学 / 第一原理計算 / 界面科学 / 計算科学 / 水素結合 / 分散力 / 静電相互作用
Outline of Final Research Achievements

We have theoretically calculated the molecular structure, binding energy, and adhesion stress of adhesion interface using density functional theory calculations. In addition we have considered some essential points of adhesion by partitioning the interaction energy into electrostatic term and so on. In particular we have studied the water layer that is located in the adhesion interface of epoxy-metal. We have demonstrated using the energy decomposition method at the atomic and molecular level that the adhesion between hydrophobic surfaces and epoxy resin is bad. We have studied glass transition temperatures of various polymers that has close relationship with adhesion using first-principles calculations and materials informatics.

Academic Significance and Societal Importance of the Research Achievements

物と物をくっつける接着技術の研究は、実用面から極めて活発に行われている。しかし、接着現象がどのような界面相互作用により生じるのかについての理論的な議論は行われていない。本研究では被着材と高分子の界面における相互作用を第一原理計算により解析し、界面に働く相互作用エネルギーおよび接着力に関して理論的に研究した。相互作用エネルギーを静電相互作用、ファンデルワールス相互作用、電荷移動相互作用、交換斥力相互作用等の成分に分割することにより、接着現象の本質について分子論的に考察した。このような研究は世界的にも行われておらず、その成果は高分子化学や界面化学などにインパクトを与えると期待される。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (111 results)

All 2020 2019 2018 2017 Other

All Journal Article (75 results) (of which Int'l Joint Research: 19 results,  Peer Reviewed: 73 results,  Open Access: 16 results,  Acknowledgement Compliant: 7 results) Presentation (33 results) (of which Int'l Joint Research: 6 results,  Invited: 5 results) Book (1 results) Remarks (1 results) Patent(Industrial Property Rights) (1 results)

  • [Journal Article] Iron complex of a quadruply fused porphyrin: Synthesis, structure and redox properties2020

    • Author(s)
      Tomoya Ishizuka, Keiyu Komamura, Yuta Saegusa, Shogo Tanaka, Yoshihito Shiota, Kazunari Yoshizawa, Takahiko Kojima
    • Journal Title

      Journal of Porphyrins and Phthalocyanines

      Volume: 24 Issue: 01n03 Pages: 252-258

    • DOI

      10.1142/s1088424619500846

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] ガラス表面とエポキシ樹脂の接着に関する分子論的研究2020

    • Author(s)
      樋口千紗、吉澤一成
    • Journal Title

      NEW GLASS

    • Related Report
      2019 Annual Research Report
  • [Journal Article] Redox behaviour of the β-dihydroporphycene cobalt complex: study on the effect of hydrogenation of the ligand2019

    • Author(s)
      Hashimoto Koichi, Koide Taro, Okawara Toru, Shimakoshi Hisashi, Hori Yuta, Shiota Yoshihito, Yoshizawa Kazunari, Hisaeda Yoshio
    • Journal Title

      Dalton Transactions

      Volume: 48 Issue: 3 Pages: 872-881

    • DOI

      10.1039/c8dt03743d

    • Related Report
      2019 Annual Research Report 2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Cupric-superoxide complex that induces a catalytic aldol reaction-type C-C bond formation2019

    • Author(s)
      T. Abe, Y. Hori, Y. Shiota, T. Ohta, Y. Morimoto, H. Sugimoto, T. Ogura, K. Yoshizawa, and S. Itoh
    • Journal Title

      Communications Chemistry

      Volume: 2 Issue: 1 Pages: 1-7

    • DOI

      10.1038/s42004-019-0115-6

    • Related Report
      2019 Annual Research Report 2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Dual Catalytic Cycle of H2 and H2O Oxidations by a Half-Sandwich Iridium Complex: A Theoretical Study2019

    • Author(s)
      Ikeda Kei、Hori Yuta、Mahyuddin Muhammad Haris、Shiota Yoshihito、Staykov Aleksandar、Matsumoto Takahiro、Yoshizawa Kazunari、Ogo Seiji
    • Journal Title

      Inorganic Chemistry

      Volume: 58 Issue: 11 Pages: 7274-7284

    • DOI

      10.1021/acs.inorgchem.9b00307

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Methane selective oxidation to methanol by metal-exchanged zeolites: a review of active sites and their reactivity2019

    • Author(s)
      Mahyuddin Muhammad Haris、Shiota Yoshihito、Yoshizawa Kazunari
    • Journal Title

      Catalysis Science & Technology

      Volume: 9 Issue: 8 Pages: 1744-1768

    • DOI

      10.1039/c8cy02414f

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Possible Biofuel Additives2019

    • Author(s)
      Abdel-Rahman Mohamed A.、Al-Hashimi Nessreen、Shibl Mohamed F.、Yoshizawa Kazunari、El-Nahas Ahmed M.
    • Journal Title

      Scientific Reports

      Volume: 9 Issue: 1

    • DOI

      10.1038/s41598-019-40890-2

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Local structures and electronic properties of In atoms in In-doped ZnO2019

    • Author(s)
      Hori Yuta、Shiota Yoshihito、Ida Tomonori、Yoshizawa Kazunari、Mizuno Motohiro
    • Journal Title

      Thin Solid Films

      Volume: 685 Pages: 428-433

    • DOI

      10.1016/j.tsf.2019.05.047

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Lithium-Richest Phase of Lithium Tetrelides Li17Tt4 (Tt = Si, Ge, Sn, and Pb) as an Electride2019

    • Author(s)
      Tsuji Yuta、Hashimoto Wataru、Yoshizawa Kazunari
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 92 Issue: 7 Pages: 1154-1169

    • DOI

      10.1246/bcsj.20190040

    • NAID

      130007679364

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Methane Activation at the Metal-Support Interface of Ni4-CeO2(111) Catalyst: A Theoretical Study2019

    • Author(s)
      Singha Rajib Kumar、Tsuji Yuta、Mahyuddin Muhammad Haris、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 123 Issue: 15 Pages: 9788-9798

    • DOI

      10.1021/acs.jpcc.8b11973

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes2019

    • Author(s)
      Hiroaki Kotani, Hinatsu Shimomura, Momoka Horimoto, Tomoya Ishizuka, Yoshihito Shiota, Kazunari Yoshizawa, Sachiko Yanagisawa, Yuka Kawahara-Nakagawa, Minoru Kubo, Takahiko Kojima
    • Journal Title

      Dalton Transactions

      Volume: 48 Issue: 35 Pages: 13154-13161

    • DOI

      10.1039/c9dt02734c

    • NAID

      120007133077

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High-Temperature Cooperative Spin Crossover Transitions and Single-Crystal Reflection Spectra of [FeIII(qsal)2](CH3OSO3) and Related Compounds2019

    • Author(s)
      Takahashi Kazuyuki、Yamamoto Kaoru、Yamamoto Takashi、Einaga Yasuaki、Shiota Yoshihito、Yoshizawa Kazunari、Mori Hatsumi
    • Journal Title

      Crystals

      Volume: 9 Issue: 2 Pages: 81-81

    • DOI

      10.3390/cryst9020081

    • NAID

      120006599239

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite2019

    • Author(s)
      Tsuji Yuta、Kitamura Yasuhiro、Someya Masao、Takano Toshihiko、Yaginuma Michio、Nakanishi Kohei、Yoshizawa Kazunari
    • Journal Title

      ACS Omega

      Volume: 4 Issue: 3 Pages: 4491-4504

    • DOI

      10.1021/acsomega.9b00129

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Mechanistic Insights into Methane Oxidation by Molecular Oxygen under Photoirradiation: Controlled Radical Chain Reactions2019

    • Author(s)
      Hori Yuta、Abe Tsukasa、Shiota Yoshihito、Yoshizawa Kazunari
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 92 Issue: 11 Pages: 1840-1846

    • DOI

      10.1246/bcsj.20190171

    • NAID

      130007745895

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Prediction of the Glass-Transition Temperatures of Linear Homo/Heteropolymers and Cross-Linked Epoxy Resins2019

    • Author(s)
      Higuchi Chisa、Horvath Dragos、Marcou Gilles、Yoshizawa Kazunari、Varnek Alexandre
    • Journal Title

      ACS Applied Polymer Materials

      Volume: 1 Issue: 6 Pages: 1430-1442

    • DOI

      10.1021/acsapm.9b00198

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Synthesis and Catalytic Reactivity of Bis(molybdenum-trihalide) Complexes Bridged by Ferrocene Skeleton toward Catalytic Nitrogen Fixation2019

    • Author(s)
      Itabashi Takayuki、Arashiba Kazuya、Tanaka Hiromasa、Konomi Asuka、Eizawa Aya、Nakajima Kazunari、Yoshizawa Kazunari、Nishibayashi Yoshiaki
    • Journal Title

      Organometallics

      Volume: 38 Issue: 14 Pages: 2863-2872

    • DOI

      10.1021/acs.organomet.9b00263

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molybdenum-Catalyzed Ammonia Formation Using Simple Monodentate and Bidentate Phosphines as Auxiliary Ligands2019

    • Author(s)
      Ashida Yuya、Arashiba Kazuya、Tanaka Hiromasa、Egi Akihito、Nakajima Kazunari、Yoshizawa Kazunari、Nishibayashi Yoshiaki
    • Journal Title

      Inorganic Chemistry

      Volume: 58 Issue: 14 Pages: 8927-8932

    • DOI

      10.1021/acs.inorgchem.9b01340

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electronic Transport Investigation of Redox-Switching Azulenequinones/Hydroquinones via First-Principles Studies2019

    • Author(s)
      El-Abed Haidar, Sherif A. Tawfik, Catherine Stampfl, Kimihiko Hirao, Kazunari Yoshizawa, Safinaz H. El-Demerdash, Takahito Nakajima, and Ahmed M. El-Nahas
    • Journal Title

      Phys.Chem.Chem.Phyts.

      Volume: 21 Issue: 32 Pages: 17859-17867

    • DOI

      10.1039/c9cp03233a

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Observation of Proton Transfer Coupled Spin Transition and Trapping of Photoinduced Metastable Proton Transfer State in an Fe(II) Complex2019

    • Author(s)
      Nakanishi Takumi、Hori Yuta、Sato Hiroyasu、Wu Shu-Qi、Okazawa Atsushi、Kojima Norimichi、Yamamoto Takashi、Einaga Yasuaki、Hayami Shinya、Horie Yusuke、Okajima Hajime、Sakamoto Akira、Shiota Yoshihito、Yoshizawa Kazunari、Sato Osamu
    • Journal Title

      Journal of the American Chemical Society

      Volume: 141 Issue: 36 Pages: 14384-14393

    • DOI

      10.1021/jacs.9b07204

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Role of Amino Acid Residues for Dioxygen Activation in the Second Coordination Sphere of the Dicopper Site of pMMO2019

    • Author(s)
      Miyanishi Mayuko、Abe Tsukasa、Hori Yuta、Shiota Yoshihito、Yoshizawa Kazunari
    • Journal Title

      Inorganic Chemistry

      Volume: 58 Issue: 18 Pages: 12280-12288

    • DOI

      10.1021/acs.inorgchem.9b01752

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Real-space observation of far- and near-field-induced photolysis of molecular oxygen on an Ag(110) surface by visible light2019

    • Author(s)
      Lin Chenfang、Ikeda Kei、Shiota Yoshihito、Yoshizawa Kazunari、Kumagai Takashi
    • Journal Title

      The Journal of Chemical Physics

      Volume: 151 Issue: 14 Pages: 144705-144705

    • DOI

      10.1063/1.5112158

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] An Azulene-Based Chiral Helicene and Its Air-Stable Cation Radical2019

    • Author(s)
      M. Narita, T. Teraoka, T. Murafuji, Y. Shiota, K. Yoshizawa, S. Mori, H. Uno, S. Kanegawa, O. Sato, K. Goto, F. Tani
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 92 Issue: 11 Pages: 1867-1873

    • DOI

      10.1246/bcsj.20190219

    • NAID

      130007745887

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite2019

    • Author(s)
      Y. Tsuji, Y. Kitamura, M. Someya, T. Takano, M. Yaginuma, K. Nakanishi, and K. Yoshizawa
    • Journal Title

      J. Phys. Chem. C.

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mechanistic Insights into Radical Chain Reactions of Methane Oxidation by Molecular Oxygen2019

    • Author(s)
      Y. Hori, Y. Shiota, and K. Yoshizawa
    • Journal Title

      J. Phys. Chem. C.

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Methane Partial Oxidation over [Cu2(μ-O)]2+ and [Cu3(μ-O)3]2+ Active Species in Large-Pore Zeolites2018

    • Author(s)
      Mahyuddin M. Haris、Tanaka Takahiro、Shiota Yoshihito、Staykov Aleksandar、Yoshizawa Kazunari
    • Journal Title

      ACS Catalysis

      Volume: 8 Issue: 2 Pages: 1500-1509

    • DOI

      10.1021/acscatal.7b03389

    • Related Report
      2018 Annual Research Report 2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Formation and Isolation of a Four-Electron-Reduced Porphyrin Derivative by Reduction of a Stable 20π Isophlorin2018

    • Author(s)
      4.Wataru Suzuki, Hiroaki Kotani, Tomoya Ishizuka, Yoshihito Shiota, Kazunari Yoshiza, Takahiko Kojima
    • Journal Title

      Angeandte Chemie International Edition

      Volume: 57 Issue: 7 Pages: 1973-1977

    • DOI

      10.1002/anie.201711058

    • NAID

      120007134423

    • Related Report
      2018 Annual Research Report 2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Contribution of Coulomb Interactions to a Two-Step Crystal Structure Phase Transformation Coupled with a Significant Change in Spin Crossover Behavior for a Series of Charged FeII Complexes from 2,6-Bis(2-methylthiazol-4-yl)pyridine2018

    • Author(s)
      Takahashi Kazuyuki、Okai Mitsunobu、Mochida Tomoyuki、Sakurai Takahiro、Ohta Hitoshi、Yamamoto Takashi、Einaga Yasuaki、Shiota Yoshihito、Yoshizawa Kazunari、Konaka Hisashi、Sasaki Akito
    • Journal Title

      Inorg. Chem.

      Volume: 57 Issue: 3 Pages: 1277-1287

    • DOI

      10.1021/acs.inorgchem.7b02721

    • NAID

      120006469075

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Cobalt?Carbon Bond Formation Reaction via Ligand Reduction of Porphycene?Cobalt(II) Complex and Its Noninnocent Reactivity2018

    • Author(s)
      Koide Taro、Aritome Isao、Saeki Tatsuya、Morita Yoshitsugu、Shiota Yoshihito、Yoshizawa Kazunari、Shimakoshi Hisashi、Hisaeda Yoshio
    • Journal Title

      ACS Omega

      Volume: 3 Issue: 4 Pages: 4027-4034

    • DOI

      10.1021/acsomega.8b00239

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Disilaruthena- and Ferracyclic Complexes Containing Isocyanide Ligands as Effective Catalysts for Hydrogenation of Unfunctionalized Sterically Hindered Alkenes2018

    • Author(s)
      Sunada, Y.; Ogushi, H.; Yamamoto, T.; Uto, S.; Sawano, M.; Tahara, A.; Tanaka, H.; Shiota, Y.; Yoshizawa, K.; Nagashima, H.
    • Journal Title

      Journal of the American Chemical Society

      Volume: 140 Issue: 11 Pages: 4119-4134

    • DOI

      10.1021/jacs.8b00812

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Two Discrete RuCp* (Cp*=Pentamethylcyclopentadienyl) Binding Modes of N-Confused Porphyrins: Peripheral π Complex and Sitting Atop Ruthenocenophane Complex by Skeletal Transformation2018

    • Author(s)
      Yamamoto Takaaki、Mitsuno Koki、Mori Shigeki、Itoyama Shuhei、Shiota Yoshihito、Yoshizawa Kazunari、Ishida Masatoshi、Furuta Hiroyuki
    • Journal Title

      Chemistry - A European Journal

      Volume: 24 Issue: 26 Pages: 6742-6746

    • DOI

      10.1002/chem.201801237

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mechanistic Insights into Homogeneous Electrocatalytic and Photocatalytic Hydrogen Evolution Catalyzed by High-Spin Ni(II) Complexes with S2N2-Type Tetradentate Ligands2018

    • Author(s)
      Hong Dachao、Tsukakoshi Yuto、Kotani Hiroaki、Ishizuka Tomoya、Ohkubo Kei、Shiota Yoshihito、Yoshizawa Kazunari、Fukuzumi Shunichi、Kojima Takahiko
    • Journal Title

      Inorganic Chemistry

      Volume: 57 Issue: 12 Pages: 7180-7190

    • DOI

      10.1021/acs.inorgchem.8b00881

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Intermediate-Spin Iron(III) Complexes Having a Redox-Noninnocent Macrocyclic Tetraamido Ligand2018

    • Author(s)
      Kojima Takahiko、Ogishima Fumiya、Nishibu Takahisa、Kotani Hiroaki、Ishizuka Tomoya、Okajima Toshihiro、Nozawa Shunsuke、Shiota Yoshihito、Yoshizawa Kazunari、Ohtsu Hiroyoshi、Kawano Masaki、Shiga Takuya、Oshio Hiroki
    • Journal Title

      Inorganic Chemistry

      Volume: NA Issue: 16 Pages: 9683-9695

    • DOI

      10.1021/acs.inorgchem.8b00037

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Catalytic Reduction of Molecular Dinitrogen to Ammonia and Hydrazine Using Vanadium Complexes2018

    • Author(s)
      Sekiguchi Yoshiya、Arashiba Kazuya、Tanaka Hiromasa、Eizawa Aya、Nakajima Kazunari、Yoshizawa Kazunari、Nishibayashi Yoshiaki
    • Journal Title

      Angewandte Chemie

      Volume: 130 Issue: 29 Pages: 9202-9206

    • DOI

      10.1002/ange.201802310

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Aerobic oxidation of alkanes on icosahedron gold nanoparticle Au552018

    • Author(s)
      Staykov Aleksandar、Miwa Tetsuya、Yoshizawa Kazunari
    • Journal Title

      Journal of Catalysis

      Volume: 364 Pages: 141-153

    • DOI

      10.1016/j.jcat.2018.05.017

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity2018

    • Author(s)
      Maurya Yogesh Kumar、Noda Katsuya、Yamasumi Kazuhisa、Mori Shigeki、Uchiyama Tomoki、Kamitani Kazutaka、Hirai Tomoyasu、Ninomiya Kakeru、Nishibori Maiko、Hori Yuta、Shiota Yoshihito、Yoshizawa Kazunari、Ishida Masatoshi、Furuta Hiroyuki
    • Journal Title

      Journal of the American Chemical Society

      Volume: 140 Issue: 22 Pages: 6883-6892

    • DOI

      10.1021/jacs.8b01876

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Adsorption and Activation of Methane on the (110) Surface of Rutile-type Metal Dioxides2018

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 122 Issue: 27 Pages: 15359-15381

    • DOI

      10.1021/acs.jpcc.8b03184

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Overview of Methane Hydroxylation by Copper?Oxygen Species in Enzymatic and Zeolitic Catalysts2018

    • Author(s)
      Mahyuddin M. Haris、Shiota Yoshihito、Staykov Aleksandar、Yoshizawa Kazunari
    • Journal Title

      Accounts of Chemical Research

      Volume: 51 Issue: 10 Pages: 2382-2390

    • DOI

      10.1021/acs.accounts.8b00236

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Interaction of SrO-terminated SrTiO3 surface with oxygen, carbon dioxide, and water2018

    • Author(s)
      Staykov Aleksandar、Fukumori Shun、Yoshizawa Kazunari、Sato Kenta、Ishihara Tatsumi、Kilner John
    • Journal Title

      Journal of Materials Chemistry A

      Volume: 6 Issue: 45 Pages: 22662-22672

    • DOI

      10.1039/c8ta05177a

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Dioxygen Activation on Cu-MOR Zeolite: Theoretical Insights into the Formation of Cu2O and Cu3O3 Active Species2018

    • Author(s)
      Mahyuddin M. Haris、Tanaka Takahiro、Staykov Aleksandar、Shiota Yoshihito、Yoshizawa Kazunari
    • Journal Title

      Inorganic Chemistry

      Volume: 57 Issue: 16 Pages: 10146-10152

    • DOI

      10.1021/acs.inorgchem.8b01329

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands2018

    • Author(s)
      Yoshiya Sekiguchi, Fanqiang Meng, Hiromasa Tanaka, Aya Eizawa, Kazuya Arashiba, Kazunari Nakajima, Kazunari Yoshizawa, and Yoshiaki Nishibayashi
    • Journal Title

      Dalton Trans.

      Volume: 47 Issue: 33 Pages: 11322-11326

    • DOI

      10.1039/c8dt02739k

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effects of electron-phonon coupling on quantum interference in polyenes2018

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Chemical Physics

      Volume: 149 Issue: 13 Pages: 134115-134115

    • DOI

      10.1063/1.5048955

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] DFT exploration of active site motifs in methane hydroxylation by Ni-ZSM-5 zeolite2018

    • Author(s)
      Mahyuddin Muhammad Haris、Yoshizawa Kazunari
    • Journal Title

      Catalysis Science & Technology

      Volume: 8 Issue: 22 Pages: 5875-5885

    • DOI

      10.1039/c8cy01441h

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Importance of the Reactant-State Potentials of Chromium(V)?Oxo Complexes to Determine the Reactivity in Hydrogen-Atom Transfer Reactions2018

    • Author(s)
      Kotani Hiroaki、Kaida Suzue、Ishizuka Tomoya、Mieda Kaoru、Sakaguchi Miyuki、Ogura Takashi、Shiota Yoshihito、Yoshizawa Kazunari、Kojima Takahiko
    • Journal Title

      Inorganic Chemistry

      Volume: 57 Issue: 21 Pages: 13929-13936

    • DOI

      10.1021/acs.inorgchem.8b02453

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Density-Functional Tight-Binding Study on the Effects of Interfacial Water in the Adhesion Force between Epoxy Resin and Alumina Surface2018

    • Author(s)
      Yoshizawa Kazunari、Murata Hiroyuki、Tanaka Hiromasa
    • Journal Title

      Langmuir

      Volume: 34 Issue: 47 Pages: 14428-14438

    • DOI

      10.1021/acs.langmuir.8b02490

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular understanding of the adhesive interactions between silica surface and epoxy resin: Effects of interfacial water2018

    • Author(s)
      Higuchi Chisa、Tanaka Hiromasa、Yoshizawa Kazunari
    • Journal Title

      Journal of Computational Chemistry

      Volume: 40 Issue: 1 Pages: 164-171

    • DOI

      10.1002/jcc.25559

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Esterification of Tertiary Amides by Alcohols Through C-N Bond Cleavage over CeO22018

    • Author(s)
      Toyao Takashi、Nurnobi?Rashed Md.、Morita Yoshitsugu、Kamachi Takashi、Hakim?Siddiki S. M. A.、Ali Md. A.、Touchy A. S.、Kon Kenichi、Maeno Zen、Yoshizawa Kazunari、Shimizu Ken-ichi
    • Journal Title

      ChemCatChem

      Volume: 11 Issue: 1 Pages: 449-456

    • DOI

      10.1002/cctc.201801098

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Theoretical Study of Dual Catalytic Cycles for H2 and H2O Oxidations by a Half-Sandwich Iridium Complex2018

    • Author(s)
      K. Ikeda, Y. Hori, Y. Shiota, M. H. Mahyuddin, A. Staykov, T. Matsumoto, K. Yoshizawa, and S. Ogo
    • Journal Title

      ACS Catal.

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Methane Selective Oxidation to Methanol Catalyzed by Metal-Exchanged Zeolites: A Review of Active Sites and Their Reactivity2018

    • Author(s)
      M. H. Mahyuddin, Y. Shiota, and K. Yoshizawa
    • Journal Title

      Catal. Sci. Tech.

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Biofuel Additives2018

    • Author(s)
      M. A. Abdel-Rahman, N. Al-Hashemi, M. F. Shibl, K. Yoshizawa, and A. M. El-Nahas
    • Journal Title

      Sci. Rep.

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Local structures and electronic properties of In atoms in In-doped ZnO2018

    • Author(s)
      Y. Hori, Y. Shiota, T. Ida, K. Yoshizawa, and M. Mizuno
    • Journal Title

      Thin Solid Films

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Lithium-Richest Phase of Lithium Tetrelides Li17/Tt4 (Tt = Si, Ge, Sn, and Pb) as an Electride2018

    • Author(s)
      Y. Tsuji, W. Hashimoto, and K. Yoshizawa
    • Journal Title

      Chem. Sci.

      Volume: -

    • NAID

      130007679364

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Activation of Methane at Metal-Support Interface of Ni4-CeO2(111) Catalyst: A Theoretical Study2018

    • Author(s)
      R. K. Singha, Y. Tsuji, M. H. Mahyuddin, and K. Yoshizawa
    • Journal Title

      J. Phys. Chem. C.

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fundamental Electron-Transfer and Proton-Coupled Electron Transfer Properties of Isolated Ru(IV)-Oxo Complexes2018

    • Author(s)
      H. Shimomura, M. Horimoto, H. Kotani, T. Ishizuka, Y. Shiota, K. Yoshizawa, and T. Kojima
    • Journal Title

      J. Am. Chem. Soc.

      Volume: -

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Combined theoretical and experimental study on alcoholysis of amides on CeO 2 surface: A catalytic interplay between Lewis acid and base sites2018

    • Author(s)
      Kamachi Takashi、Siddiki S.M.A. Hakim、Morita Yoshitsugu、Rashed Md. Nurnobi、Kon Kenichi、Toyao Takashi、Shimizu Ken-ichi、Yoshizawa Kazunari
    • Journal Title

      Catalysis Today

      Volume: 303 Pages: 256-262

    • DOI

      10.1016/j.cattod.2017.09.006

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Synergy of Electrostatic and van der Waals Interactions in the Adhesion of Epoxy Resin with Carbon-Fiber and Glass Surfaces2017

    • Author(s)
      K. Yoshizawa, T. Semoto, S. Hitaoka, C. Higuchi, Y. Shiota, and H. Tanaka
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 90 Issue: 5 Pages: 500-505

    • DOI

      10.1246/bcsj.20160426

    • NAID

      130006770715

    • ISSN
      0009-2673, 1348-0634
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] 第一原理計算による接着界面相互作用の研究2017

    • Author(s)
      吉澤一成
    • Journal Title

      接着の技術誌

      Volume: 37 Pages: 25-30

    • Related Report
      2017 Annual Research Report
  • [Journal Article] Electrical Conductance and Diode-Like Behavior of Substituted Azulene2017

    • Author(s)
      A. El-Nahas, A. Staykov, K. Yoshizawa
    • Journal Title

      Phys. Chem. C

      Volume: 121 (5) Issue: 5 Pages: 2504-2511

    • DOI

      10.1021/acs.jpcc.6b10339

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Redox Potentials of Cobalt Corrinoids with Axial Ligands Correlate with Heterolytic Co-C Bond Dissociation Energies2017

    • Author(s)
      Y. Morita, K. Oohora, A. Sawada, T. Kamachi, K. Yoshizawa, T. Hayashi
    • Journal Title

      Inorg. Chem.

      Volume: 56 (4) Issue: 4 Pages: 1950-1955

    • DOI

      10.1021/acs.inorgchem.6b02482

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] σ-CAM Mechanisms for the Hydrogenation of Alkenes by cis- and trans-Disilametallacyclic Carbonyl Complexes (M = Fe, Ru, Os): Experimental and Theoretical Studies2017

    • Author(s)
      K. Miyamoto, A. Tahara, Y. Sunada, H. Tutumi, R. Inoue, H. Tanaka, Y. Shiota, K. Yoshizawa, and H. Nagashima
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 99 Issue: 5 Pages: 613-626

    • DOI

      10.1246/bcsj.20170004

    • NAID

      130006770718

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Thermodynamics and Photodynamics of a Monoprotonated Porphyrin Directly Stabilized by Hydrogen Bonding with Polar Protic Solvents2017

    • Author(s)
      W. Suzuki, H. Kotani, T. Ishizuka, K. Ohkubo, Y. Shiota, K. Yoshizawa, S. Fukuzumi, T. Kojima
    • Journal Title

      Chemistry-A European Journal

      Volume: 23 Issue: 19 Pages: 4669-4679

    • DOI

      10.1002/chem.201606012

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Remarkable Catalytic Activity of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing N-Heterocyclic Carbene-Based PCP-Pincer Ligand toward Nitrogen Fixation under Ambient Reaction Conditions2017

    • Author(s)
      A. Eizawa, K. Arashiba, H. Tanaka, S. Kuriyama, Y. Matsuo, K. Nakajima, K. Yoshizawa, Y. Nishibayashi
    • Journal Title

      Nature Commun.

      Volume: 8 Issue: 1 Pages: 14874-14874

    • DOI

      10.1038/ncomms14874

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Phenylamine-functionalized mesoporous silica supported PdAg nanoparticles: a dual heterogeneous catalyst for the formic acid/CO2-mediated chemical hydrogen delivery/storage2017

    • Author(s)
      Kohsuke Mori, Shinya Masuda, Hiromasa Tanaka, K. Yoshizawa, Michel Che, and Hiromi Yamashita
    • Journal Title

      Chem. Commun.

      Volume: 53 Issue: 34 Pages: 4677-4680

    • DOI

      10.1039/c7cc00864c

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Roles of Zeolite Confinement and Cu-O-Cu Angle on the Direct Conversion of Methane to Methanol by [Cu2(μ-O)]2+-Exchanged AEI, CHA, AFX, and MFI Zeolites2017

    • Author(s)
      Mahyuddin M. Haris、Staykov Aleksandar、Shiota Yoshihito、Miyanishi Mayuko、Yoshizawa Kazunari
    • Journal Title

      ACS Catal.

      Volume: 7 Issue: 6 Pages: 3741-3751

    • DOI

      10.1021/acscatal.7b00588

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(III) centre2017

    • Author(s)
      Daiki Fujita, Hideki Sugimoto, Yoshihito Shiota, Yuma Morimoto, Kazunari Yoshizawa, and Shinobu Itoh
    • Journal Title

      Chem. Commun.

      Volume: 印刷中 Issue: 35 Pages: 4849-4852

    • DOI

      10.1039/c7cc01840a

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Frontier Orbital Perspective for Quantum Interference in Alternant and Nonalternant Hydrocarbons2017

    • Author(s)
      Tsuji Yuta、Yoshizawa Kazunari
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 121 Issue: 17 Pages: 9621-9626

    • DOI

      10.1021/acs.jpcc.7b02274

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Isolation and phototransformation of enantiomerically pure iridium(iii) bis[(4,6-difluorophenyl)pyridinato-N,C2]picolinate2017

    • Author(s)
      Wang Yue、Harada Takunori、Shiota Yoshihito、Yoshizawa Kazunari、Wang Heng、Wang Sheng、Ye Xichong、Ogasawara Masamichi、Nakano Tamaki
    • Journal Title

      RSC AdV

      Volume: 7 Issue: 47 Pages: 29550-29553

    • DOI

      10.1039/c7ra04141a

    • NAID

      120007141569

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Specific Enhancement of Catalytic Activity by a Dicopper Core: Selective Hydroxylation of Benzene to Phenol with Hydrogen Peroxide2017

    • Author(s)
      Tsuji Tomokazu、Zaoputra Antonius Andre、Hitomi Yutaka、Mieda Kaoru、Ogura Takashi、Shiota Yoshihito、Yoshizawa Kazunari、Sato Hiroyasu、Kodera Masahito
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 56 Issue: 27 Pages: 7779-7782

    • DOI

      10.1002/anie.201702291

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Formation of supramolecular hetero-triads by controlling the hydrogen bonding of conjugate bases with a diprotonated porphyrin based on electrostatic interaction2017

    • Author(s)
      Suzuki Wataru、Kotani Hiroaki、Ishizuka Tomoya、Shiota Yoshihito、Yoshizawa Kazunari、Kojima Takahiko
    • Journal Title

      Chem. Commun.

      Volume: 53 Issue: 47 Pages: 6359-6362

    • DOI

      10.1039/c7cc03635c

    • NAID

      120007128973

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Catalytic Nitrogen Fixation via Direct Cleavage of Nitrogen-Nitrogen Triple Bond of Molecular Dinitrogen under Ambient Reaction Conditions2017

    • Author(s)
      K. Arashiba, A. Eizawa, H. Tanaka, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 90 Issue: 10 Pages: 1111-1118

    • DOI

      10.1246/bcsj.20170197

    • NAID

      130006770691

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Photochemical Intramolecular C-H Addition of Dimesityl(hetero)arylboranes through a [1,6]-Sigmatropic Rearrangement2017

    • Author(s)
      Ando Naoki、Fukazawa Aiko、Kushida Tomokatsu、Shiota Yoshihito、Itoyama Shuhei、Yoshizawa Kazunari、Matsui Yasunori、Kuramoto Yutaro、Ikeda Hiroshi、Yamaguchi Shigehiro
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 56 Issue: 40 Pages: 12210-12214

    • DOI

      10.1002/anie.201706929

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O2017

    • Author(s)
      Mahyuddin M. Haris、Shiota Yoshihito、Staykov Aleksandar、Yoshizawa Kazunari
    • Journal Title

      Inorg. Chem.

      Volume: 56 Issue: 17 Pages: 10370-10380

    • DOI

      10.1021/acs.inorgchem.7b01284

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Rhenium-loaded TiO2: A highly versatile and chemoselective catalyst for the hydrogenation of carboxylic acid derivatives and the N-methylation of amines using H2 and CO22017

    • Author(s)
      Takashi Toyao, SMAH Siddiki, Yoshitsugu Morita, Takashi Kamachi, Abeda. S. Touchy, Wataru Onodera, Kenichi Kon, Shinya Furukawa, Hiroko Ariga, Kiyotaka Asakura, Kazunari Yoshizawa, Ken-ichi Shimizu
    • Journal Title

      Chemistry A European Journal

      Volume: 23 Issue: 59 Pages: 14848-14859

    • DOI

      10.1002/chem.201702801

    • NAID

      120006531086

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Efficient 1 H NMR chiral discrimination of sulfoxides caused by the dynamic nature of ( R , R )-3′,3″-biBINOL2017

    • Author(s)
      Kawanami Toshio、Ishizuka Kentaro、Furuno Hiroshi、Shiota Yoshihito、Yoshizawa Kazunari、Inanaga Junji
    • Journal Title

      Tetrahedron Asymm

      Volume: 28 Issue: 11 Pages: 1587-1590

    • DOI

      10.1016/j.tetasy.2017.10.008

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Catalytic Performance of a Dicopper-Oxo Complex for Methane Hydroxylation2017

    • Author(s)
      Hori Yuta、Shiota Yoshihito、Tsuji Tomokazu、Kodera Masahito、Yoshizawa Kazunari
    • Journal Title

      Inorg. Chem.

      Volume: 57 Issue: 1 Pages: 8-11

    • DOI

      10.1021/acs.inorgchem.7b02563

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] NH Tautomerism of a Quadruply Fused Porphyrin: Rigid Fused Structure Delays the Proton Transfer2017

    • Author(s)
      5.Yuta Saegusa, Tomoya Ishizuka*, Yoshihito Shiota, Kazunari Yoshizawa, Takahiko Kojima
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 122 Issue: 1 Pages: 316-327

    • DOI

      10.1021/acs.jpcb.7b10945

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Presentation] π共役系の導電経路と伝導度の関係に関する理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第22回理論化学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ルビジウム亜酸化物の電子状態に関する理論的研究2019

    • Author(s)
      堀 幹矢、辻 雄太、吉澤 一成
    • Organizer
      第22回理論化学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] A QSPR Study of the Glass Transition Temperatures of Linear Polymers and Cross-linked Epoxy Resins2019

    • Author(s)
      Chisa Higuchi、Dragos Horvath、Gilles Marcou、Kazunari Yoshizawa、Alexandre Varnek
    • Organizer
      第22回理論化学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 第一原理計算を用いた接着界面相互作用の分子論的理解2019

    • Author(s)
      吉澤 一成
    • Organizer
      日本接着学会 研究会合同シンポジウム~「接着の未来」~
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] フロンティア軌道論に基づいたπ共役系の伝導度と導電経路の関係性の解明2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ルビジウム亜酸化物の理論的研究2019

    • Author(s)
      堀 幹矢、辻 雄太、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 金とエポキシ樹脂の界面における接着相互作用の理論的研究2019

    • Author(s)
      馬場 太基、村田 裕幸、辻 雄太、鶴見 直明、眞砂 紀之、吉澤 一成
    • Organizer
      第13回分子科学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 高分子の2D化学構造に基づくガラス転移温度予測モデルの構築2019

    • Author(s)
      樋口 千紗、Horvath Dragos、Marcou Gilles、吉澤 一成、Varnek Alexandre
    • Organizer
      第13回分子科学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Orbital Concept for Methane Activation2019

    • Author(s)
      Kazunari Yoshizawa
    • Organizer
      APATCC 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 分子伝道の軌道理論2019

    • Author(s)
      吉澤 一成
    • Organizer
      日本コンピュータ化学会2019秋季年会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] リチウムテトレライドの電子状態2019

    • Author(s)
      辻雄太、橋本航、吉澤一成
    • Organizer
      日本コンピュータ化学会2019秋季年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 単分子並列回路におけるフロンティア軌道と伝導度の関係2019

    • Author(s)
      岡澤一樹、辻雄太、吉澤一成
    • Organizer
      日本コンピュータ化学会2019秋季年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] フロンティア軌道論に基づく単分子並列回路の電気伝導の理論的研究2019

    • Author(s)
      岡澤 一樹、辻 雄太、吉澤 一成
    • Organizer
      第42回ケモインフォマティクス討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 線形ポリマーとエポキシ樹脂のガラス転移温度予測2019

    • Author(s)
      樋口 千紗、Dragos Horvath、Gilles Marcou、吉澤 一成、Alexandre Varnek
    • Organizer
      第42回ケモインフォマティクス討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 第一原理計算による接着界面相互作用に関する考察2019

    • Author(s)
      吉澤 一成
    • Organizer
      接着・接合技術コンソーシアム 第6回企業ワークショップ
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 金ナノ粒子担持層状複水酸化物ナノシート触媒を用いた酸素発生反応の量子化学的解析2019

    • Author(s)
      三輪 哲也、Aleksander Staykov、吉澤 一成
    • Organizer
      第52回酸化反応討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Orbital Concept for Methane Activation by Metal-Oxo Species: Enzyme to Surface2019

    • Author(s)
      Kazunari Yoshizawa
    • Organizer
      The 81st Okazaki Conference
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical study of Co-C bond dissociation reactions by B12-TiO22019

    • Author(s)
      IMAMURA, Kenji; SHIOTA, Yoshihito;SHIMAKOSHI, Hisashi; HISAEDA, Yoshio; YOSHIZAWA, Kazunari
    • Organizer
      日本化学会第99春季年会 (2019)
    • Related Report
      2018 Annual Research Report
  • [Presentation] Theoretical Study on the Reduction of Nitrite to Ammonia on a Diruthenium Complex2019

    • Author(s)
      EGI, Akihito; IKEDA,Kei; TANAKA, Hiromasa; SHIOTA, Yoshihito; ARIKAWA, Yasuhiro;YOSHIZAWA, Kazunari
    • Organizer
      日本化学会第99春季年会 (2019)
    • Related Report
      2018 Annual Research Report
  • [Presentation] Theoretical Study of Adhesion Stress between Au and Epoxy Resin2019

    • Author(s)
      BABA, Taiki; MURATA, Hiroyuki; TSUJI,Yuta; TSURUMI, Naoaki; MASAGO, Noriyuki; YOSHIZAWA, Kazunari
    • Organizer
      日本化学会第99春季年会 (2019)
    • Related Report
      2018 Annual Research Report
  • [Presentation] Catalysis of gold nanoparticles supported on a layered double hydroxide2019

    • Author(s)
      MIWA, Tetsuya; STAYKOV,Aleksandar; YOSHIZAWA, Kazunari
    • Organizer
      日本化学会第99春季年会 (2019)
    • Related Report
      2018 Annual Research Report
  • [Presentation] 第一原理計算による接着の分子論2019

    • Author(s)
      吉澤一成
    • Organizer
      高分子科学(理研九大)ワークショップ
    • Related Report
      2018 Annual Research Report
  • [Presentation] A Study of Adhesion Interface about Die Bonding Structure with Conductive Silver Paste2018

    • Author(s)
      TSURUMI, Naoaki; MASAGO, Noriyuki; BABA, Taiki; MURATA, Hiroyuki; TSUJI,Yuta; YOSHIZAWA, Kazunari
    • Organizer
      2018 IEEE CPMT Symposium Japan (ICSJ)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular Mechanism on the Reducion of Adhesion between Silica Surface and Epoxy Resin by interfacicial Water2018

    • Author(s)
      Chisa Higuchi
    • Organizer
      16th International Congress of Quantum Chemistry (ICQC)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on the Role of Hydrogen Bond in the Adhesion between Glass Surface and Epoxy Resin2018

    • Author(s)
      樋口千紗,田中宏昌,吉澤一成
    • Organizer
      IMCE 国際シンポジウム
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study of the Influence of Temperature on Adhesion between Metal and Resin2018

    • Author(s)
      村田裕幸,辻雄太,吉澤一成
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Theoretical Study on the Adhesion Interaction at the Interface between Metal and Resin2018

    • Author(s)
      (8)馬場太基,村田裕幸,辻雄太,吉澤一成
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 接着の分子機構2017

    • Author(s)
      吉澤一成
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] シリカ表面/エポキシ樹脂接着界面の吸着水が接着特性に与える影響2017

    • Author(s)
      樋口千紗,田中宏昌,吉澤一成
    • Organizer
      第68回コロイドおよび界面化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] アルミナ/エポキシ樹脂間の接着における温度の影響に関する理論的研究2017

    • Author(s)
      村田裕幸,辻雄太,吉澤一成
    • Organizer
      第11回 分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] ガラス表面とエポキシ樹脂の接着における吸着水の影響と水素結合の重要性2017

    • Author(s)
      樋口千紗,田中宏昌,吉澤一成
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 吸着水の接着界面に及ぼす影響に関する理論的考察2017

    • Author(s)
      村田裕幸,田中宏昌,吉澤一成
    • Organizer
      IRCCS The 3rd Symposium
    • Related Report
      2017 Annual Research Report
  • [Presentation] Molecular Understanding of Adhesion at Silica Surface/Epoxy Resin Interface: Effects of Interfacial Water Molecules2017

    • Author(s)
      樋口千紗,田中宏昌,吉澤一成
    • Organizer
      IRCCS The 1st International Symposium
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Book] 異種材料の接着・接合技術とマルチマテリアル化 第2節 接着の分子機構2017

    • Author(s)
      田中宏昌, 村田裕幸, 吉澤一成
    • Total Pages
      633
    • Publisher
      技術情報協会
    • ISBN
      9784861046827
    • Related Report
      2017 Annual Research Report
  • [Remarks] 吉澤研究室ホームページ

    • URL

      http://trout.scc.kyushu-u.ac.jp/yoshizawaJ/

    • Related Report
      2019 Annual Research Report
  • [Patent(Industrial Property Rights)] 接着構造体、及び半導体モジュール2018

    • Inventor(s)
      吉澤一成、辻雄太、村田裕幸、馬場太基、鶴見直明
    • Industrial Property Rights Holder
      吉澤一成、辻雄太、村田裕幸、馬場太基、鶴見直明
    • Industrial Property Rights Type
      特許
    • Industrial Property Number
      2018-037198
    • Filing Date
      2018
    • Related Report
      2018 Annual Research Report

URL: 

Published: 2017-04-28   Modified: 2021-02-19  

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