Molecular Theory of Adhesion and Its Development

• Project/Area Number: 15K13710
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Polymer chemistry
• Research Institution: Kyushu University
• Principal Investigator: Yoshizawa Kazunari 九州大学, 先導物質化学研究所, 教授 (30273486)
• Project Period (FY): 2015-04-01 – 2017-03-31
• Project Status: Completed (Fiscal Year 2016)
• Budget Amount: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000); Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000); Fiscal Year 2015: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
• Keywords: 接着 / 量子化学 / エポキシ樹脂

Outline of Final Research Achievements

We have carried out theoretical studies of adhesion interactions of epoxy resin and metal surface, carbon surface, and glass surface using quantum chemical calculations, demonstrating that hydrogen bonding is a main factor for the adhesive interactions. In particular we considered effects of adsorbed water molecules on the adhesive surface. Our calculation models consist of epoxy resin of the bisphenol A type with hydroxylated alumina, carbon, and glass surfaces. Adsorbed water layers significantly weaken the adhesive forces.

Research Products

• [Journal Article] Electrical conductivity of dithiophene-based diblock molecular Junctions (2017)
  • Author(s): A. El-Nahas, A. Gamea, M. M. El-Hendawy, and K. Yoshizawa
  • Journal Title: Comp. Theoret. Chem. Volume: 1099 Pages: 64-74
  • DOI: 10.1016/j.comptc.2016.11.012
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Anisotropic Change in Magnetic Susceptibility of a Dynamic Single Crystal of Cobalt(II) Complex (2017)
  • Author(s): Z.-S. Yao, S.-Q. Wu, Y. Kitagawa, S.-Q. Su, Y.-G. Huang, G.-L. Li, Z.-H. Ni, H. Nojiri, Y. Shiota, K. Yoshizawa, S. Kang, S. Kanegawa, O. Sato
  • Journal Title: Angew. Chem. Int. Ed. Volume: 56 Issue: 3 Pages: 717-721
  • DOI: 10.1002/anie.201606165
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Electrical Conductance and Diode-Like Behavior of Substituted Azulene (2017)
  • 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
  • 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 Energies (2017)
  • 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
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Synergy of Electrostatic and van der Waals Interactions in the Adhesion of Epoxy Resin with Carbon-Fiber and Glass Surfaces (2017)
  • 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
  • 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 Studies (2017)
  • 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
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Thermodynamics and Photodynamics of a Monoprotonated Porphyrin Directly Stabilized by Hydrogen Bonding with Polar Protic Solvents (2017)
  • 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
  • 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 Conditions (2017)
  • 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
  • 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/storage (2017)
  • 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
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Persistent four-coordinate iron-centered radical stabilized by π-donation (2016)
  • Author(s): Yusuke Sunada, Shintaro Ishida, Fumiya Hirakawa, Yoshihito Shiota, Kazunari Yoshizawa, Shinji Kanegawa, Osamu Sato, Hideo
  • Journal Title: Chem. Sci. Volume: 7 Issue: 1 Pages: 191-198
  • DOI: 10.1039/c5sc02601f
  • Peer Reviewed / Open Access
• [Journal Article] Heterometallic FeIII/K coordination polymer with a wide thermal hysteretic spin transition around room temperature (2016)
  • Author(s): S. Kang, Y. Shiota, A. Kariyazaki, S. Kanegawa, K. Yoshizawa, and O. Sato
  • Journal Title: Chem. Eur. J. Volume: 22 Issue: 2 Pages: 532-538
  • DOI: 10.1002/chem.201680262
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Intraprotein transmethylation via a CH3–Co(III) species in myoglobin reconstituted with a cobalt corrinoid complex (2016)
  • Author(s): Y. Morita, K. Oohora, A. Sawada, K. Doitomi, J. Ohbayashi, T. Kamachi, K. Yoshizawa, Y. Hisaeda, T. Hayashi
  • Journal Title: Dalton Transactions Volume: 45 Issue: 8 Pages: 3277-3284
  • DOI: 10.1039/c5dt04109k
  • Peer Reviewed / Open Access
• [Journal Article] A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-field N2O4 Coordination Octahedron (2016)
  • Author(s): Kazuyuki Takahashi, Kiko Kawamukai, Mitsunibu Okai, Tomoyuki Mochida, Takahiro Sakurai, Hitoshi Ohta, Takashi Yamamoto, Yasuaki Einaga, Yoshihito Shiota, Kazunari Yoshizawa
  • Journal Title: Chem. Eur. J. Volume: 22 Issue: 4 Pages: 1253-1257
  • DOI: 10.1002/chem.201504883
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin (2016)
  • Author(s): Y. Morita, K. Oohora, E. Mizohata, A. Sawada, T. Kamachi, K. Yoshizawa, T. Inoue, T. Hayashi
  • Journal Title: Inorganic Chemistry Volume: 55 Issue: 3 Pages: 1287-1295
  • DOI: 10.1021/acs.inorgchem.5b02598
  • Peer Reviewed
• [Journal Article] The chemistry of benzodisilacyclobutenes and benzobis(disilacyclobutene)s: New development of transition-metal-catalyzed reactions, stereochemistry and theoretical studies (2016)
  • Author(s): M. Ishikawa, A. Naka, and K. Yoshizawa
  • Journal Title: Dalton Trans. Volume: 45 Issue: 8 Pages: 3210-3235
  • DOI: 10.1039/c5dt04569j
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Homogeneous Photocatalytic Water Oxidation with a Dinuclear CoIII-Pyridylmethyl amine Complex (2016)
  • Author(s): T. Ishizuka, A. Watanabe, H. Kotani, D. Hong, K. Satonaka, T. Wada, Y. Shiota, K. Yoshizawa, K. Ohara, K. Yamaguchi, S. Kato, S. Fukuzumi, T. Kojima
  • Journal Title: Inorganic Chemistry Volume: 55 Issue: 3 Pages: 1154-1164
  • DOI: 10.1021/acs.inorgchem.5b02336
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Low-Mode Conformational Search Method with Semiempirical Quantum Mechanical Calculations: Application to Enantioselective Organocatalysis (2016)
  • Author(s): T. Kamachi, K. Yoshizawa
  • Journal Title: Journal of Chemical Information and Modeling Volume: 56 Issue: 2 Pages: 347-353
  • DOI: 10.1021/acs.jcim.5b00671
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Possible Peroxo State of the Dicopper Site of Particulate Methane Monooxygenase from Combined Quantum Mechanics and Molecular Mechanics Calculations (2016)
  • Author(s): S. Itoyama, K. Doitomi, T. Kamachi, Y. Shiota, K. Yoshizawa
  • Journal Title: Inorganic Chemistry Volume: 55 Issue: 6 Pages: 2771-2775
  • DOI: 10.1021/acs.inorgchem.5b02603
  • Peer Reviewed
• [Journal Article] Thermal behavior of benzobis(tetraethyldisilacyclobutene) (2016)
  • Author(s): Akinobu Naka, Kazunari Yoshizawa, Mitsuo Ishikawa
  • Journal Title: Z. Naturforsch. Volume: 71b Issue: 3 Pages: 227-230
  • DOI: 10.1515/znb-2015-0155
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Formation and High Reactivity of the anti-Dioxo Form of High- Spin m-Oxodioxodiiron(IV) as the Active Species That Cleaves Strong C (2016)
  • Author(s): Masahito Kodera,* Shin Ishiga, Tomokazu Tsuji, Katsutoshi Sakurai, Yutaka Hitomi, Yoshihito Shiota, P. K. Sajith, Kazunari Yoshizawa, Kaoru Mieda, and Takashi Ogura
  • Journal Title: Chemistry A European Journal Volume: 17 Issue: 17 Pages: 1-14
  • DOI: 10.1002/chem.201600048
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Superior Thermoelasticity and Shape-Memory Nanopores in a Porous Supramolecular Organic Framework (2016)
  • Author(s): Y.-G. Huang, Y. Shiota, M.-Y. Wu, S.-Q. Su, Z.-S. Yao, S. Kang, S. Kanegawa, G.-L. Li, S.-Q. Wu, T. Kamachi, K. Yoshizawa, M.-C. Hong, and Osamu Sato
  • Journal Title: Nature Commun. Volume: 7 Issue: 1 Pages: 11564-11571
  • DOI: 10.1038/ncomms11564
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] First-Principals Calculations of Electron Transport Through Azulene (2016)
  • Author(s): A. El-Nahas, A. Staykov, and K. Yoshizawa
  • Journal Title: J. Phys. Chem. C Volume: 120 Issue: 17 Pages: 9043-9052
  • DOI: 10.1021/acs.jpcc.6b00767
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Interplay between Theory and Experiment for Ammonia Synthesis Catalyzed by Transition Metal Complexes (2016)
  • Author(s): H. Tanaka, Y. Nishibayashi, K. Yoshizawa
  • Journal Title: Acc. Chem. Res. Volume: 49 Issue: 5 Pages: 987-995
  • DOI: 10.1021/acs.accounts.6b00033
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Unsymmetircal PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused- Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes (2016)
  • Author(s): H. Taguchi, D. Sasaki, K. Takeuchi, S. Tsujimoto, T. Matsuo, H. Tanaka, K. Yoshizawa, F. Ozawa
  • Journal Title: Organometallics Volume: 35 Issue: 10 Pages: 1526-1533
  • DOI: 10.1021/acs.organomet.6b00113
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Computational Study of Cyclobutane-1,3-diylidene Dicarbenes: Ground-State Spin Multiplicity and New Strategy toward the Synthesis of Bicyclo[1.1.0]but-1(3)-enes (2016)
  • Author(s): Yoshiki Fujita, Manabu Abe, Yoshihito Shiota, Tatsuya Suzuki, and Kazunari Yoshizawa
  • Journal Title: Bull. Chem. Soc. Jpn Volume: 89 Issue: 7 Pages: 770-778
  • DOI: 10.1246/bcsj.20160051
  • NAID: 130005253040
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] The Role of Coulombic Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III) Complexes from a π-Extended ONO Ligand (2016)
  • Author(s): S. Murata, K. Takahashi, T. Sakurai, H. Ohta, T. Yamamoto, Y. Einaga, Y. Shiota, K. Yoshizawa
  • Journal Title: Crystals Volume: 6 Issue: 5 Pages: 49-64
  • DOI: 10.3390/cryst6050049
  • NAID: 120005756111
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Computational Mutation Study on the Role of Catalytic Residues in Coenzyme B12-Dependent Diol Dehydratase (2016)
  • Author(s): K. Doitomi, T. Kamachi, T. Toraya, and K. Yoshizawa
  • Journal Title: Bull. Chem. Soc. Jpn. Volume: 89 Issue: 8 Pages: 955-964
  • DOI: 10.1246/bcsj.20160083
  • NAID: 130006770684
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Energetic Mechanism of Cytochrome c - Cytochrome c Oxidase Electron Transfer Complex Formation under Turnover Conditions Revealed by Mutational Effects and Docking Simulation (2016)
  • Author(s): W. Sato, S. Hitaoka, K. Inoue, M. Imai, T. Saio, T. Uchida, K. Shinzawa-Itoh, S. Yoshikawa, K. Yoshizawa, and K. Ishimori
  • Journal Title: J. Biol. Chem. Volume: 291 Issue: 29 Pages: 15320-15331
  • DOI: 10.1074/jbc.m115.708065
  • NAID: 120006324913
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Catalytic Transformation of Dinitrogen into Ammonia and Hydrazine by Iron-Dinitrogen Complexes Bearing Pincer Ligand (2016)
  • Author(s): S. Kuriyama, K. Arashiba, K. Nakajima, Y. Matsuo, H. Tanaka, K. Ishii, K. Yoshizawa, Y. Nishibayashi
  • Journal Title: Nature Communications Volume: 7 Issue: 1 Pages: 12181-12181
  • DOI: 10.1038/ncomms12181
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Mechanistic Insights into C-H Oxidations by Ruthenium(III)-Pterin Complexes: Impact of Basicity of the Pterin Ligand and Electron Acceptability of the Metal Center on the Transition States (2016)
  • Author(s): H. Mitome, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, T. Kojima
  • Journal Title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 138 Issue: 30 Pages: 9508-9520
  • DOI: 10.1021/jacs.6b03785
  • Peer Reviewed
• [Journal Article] An Azulene-Fused Tetracene Diimide with a Small HOMO-LUMO Gap (2016)
  • Author(s): T. Koide, M. Takesue, T. Murafuji, K. Satomi, Y. Suzuki, J. Kawamata, K. Terai, M. Suzuki, H. Yamada, Y. Shiota, K. Yoshizawa, and F. Tani
  • Journal Title: ChemPlusChem Volume: 2016 Issue: 7 Pages: 81-86
  • DOI: 10.1002/cplu.201600356
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Direct Transformation of Molecular Dinitrogen into Ammonia Catalyzed by Cobalt Dinitrogen Complexes Bearing Anionic PNP Pincer Ligands (2016)
  • Author(s): S. Kuriyama, K. Arashiba, H. Tanaka, Y. Matsuo, K. Nakajima, K. Yoshizawa, Y. Nishibayashi
  • Journal Title: Angew. Chem. Int. Ed. Volume: 55 Issue: 46 Pages: 14291-14295
  • DOI: 10.1002/anie.201606090
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Azaferrocene-Based PNP-Type Pincer Ligand: Synthesis of Molybdenum, Chromium, and Iron Complexes and Reactivity toward Nitrogen Fixation (2016)
  • Author(s): S. Kuriyama, K. Arashiba, K. Nakajima, H. Tanaka, K. Yoshizawa, Y. Nishibayashi
  • Journal Title: Eur. J. Inorg. Chem. Volume: 2016 Issue: 30 Pages: 4856-4861
  • DOI: 10.1002/ejic.201601051
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] A Ruthenium(III)-Oxyl Complex Bearing Strong Radical Character (2016)
  • Author(s): Y. Shimoyama, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, K. Mieda, T. Ogura, T. Okajima, S. Nozawa, T. Kojima
  • Journal Title: Angewandte Chemie International Edition Volume: 55 Issue: 45 Pages: 14041-14045
  • DOI: 10.1002/anie.201607861
  • Peer Reviewed
• [Journal Article] Push-pull fluorenones and benzazulenequinones: unprecedented regioselective [4 + 2] and [2 + 2] cycloadditions of benzopentalenequinone derivative and alkynes bearing an aniline moiety (2016)
  • Author(s): S. Kato, T. Kijima, Y. Shiota, T. Yoshihara, S. Tobita, K. Yoshizawa, and Y. Nakamura
  • Journal Title: Tetrahedron Lett. Volume: 57 Issue: 41 Pages: 4604-4607
  • DOI: 10.1016/j.tetlet.2016.09.002
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Thermally Induced Intra-Carboxyl Proton Shuttle in a Molecular Rack-and-Pinion Cascade Achieving Macroscopic Crystal Deformation (2016)
  • Author(s): You-Gui Huang, Yoshihito Shiota, Sheng-Qun Su, Shu-Qi Wu, Zi-Shuo Yao, Guo-Ling Li, Shinji Kanegawa, Soonchul Kang, Takashi Kamachi, Kazunari Yoshizawa, Katsuhiko Ariga, Osamu Sato
  • Journal Title: Angew. Chem. Int. Ed. Volume: 55 Issue: 47 Pages: 14628-14632
  • DOI: 10.1002/anie.201607886
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Directional Electron Transfer in Crystals of [CrCo] Dinuclear Complexes Achieved by Chirality-Assisted Preparative Method (2016)
  • Author(s): Shinji Kanegawa, Yoshihito Shiota, Soonchul Kang, Kazuyuki Takahashi, Hajime Okajima, Akira Sakamoto, Tatsuya Iwata, Hideki Kandori, Kazunari Yoshizawa, and Osamu Sato
  • Journal Title: J. Am. Chem. Soc. Volume: 138 Issue: 43 Pages: 14170-14173
  • DOI: 10.1021/jacs.6b05089
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] A Square Planar Complex of Platinum(0) (2016)
  • Author(s): K. Takeuchi, H. Taguchi, I. Tanigawa, S. Tsujimoto, T. Matsuo, H. Tanaka, K. Yoshizawa, F. Ozawa
  • Journal Title: Angew. Chem. Int. Ed. Volume: 55 Issue: 49 Pages: 15347-15350
  • DOI: 10.1002/anie.201609515
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Direct Conversion of Methane to Methanol by Metal-Exchanged ZSM-5 Zeolite (Metal = Fe, Co, Ni, and Cu) (2016)
  • Author(s): M. H. Mahyuddin, A. Staykov, Y. Shiota, and K. Yoshizawa
  • Journal Title: ACS Catal. Volume: 6 Issue: 12 Pages: 8321-8331
  • DOI: 10.1021/acscatal.6b01721
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Theoretical Study of the Catalytic Hydrogenation of Alkenes by a Disilaferracyclic Complex: Can the Fe-Si s-Bond-assisted Activation of H-H Bonds Allow Development of an Efficient Catalysis of Iron? (2016)
  • Author(s): A. Tahara, H. Tanaka, Y. Sunada, Y. Shiota, K. Yoshizawa, and H. Nagashima
  • Journal Title: J. Org. Chem. Volume: 81 Issue: 22 Pages: 10900-10911
  • DOI: 10.1021/acs.joc.6b01961
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] TiO2-Supported Re as a General and Chemoselective Heterogeneous Catalyst for Hydrogenation of Carboxylic Acids to Alcohols (2016)
  • Author(s): T. Toyao, S. M. A. H. Siddiki, A. S. Touchy, W. Onodera, K. Kon, Y. Morita, T. Kamachi, K. Yoshizawa, and K. Shimizu
  • Journal Title: Chem. Eur. J. Volume: 23 Issue: 5 Pages: 1001-1006
  • DOI: 10.1002/chem.201604762
  • NAID: 120006365325
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Acid-Base Properties of a Freebase Form of a Quadruply-Ring-Fused Porphyrin―Stepwise Protonation Induced by Rigid Ring-Fused Structure (2016)
  • Author(s): Y. Saegusa, T. Ishizuka, Y. Shiota, K. Yoshizawa, T. Kojima
  • Journal Title: The Journal of Organic Chemistry Volume: 82 Issue: 1 Pages: 322-330
  • DOI: 10.1021/acs.joc.6b02419
  • Peer Reviewed
• [Journal Article] 分子動力学計算による樹脂界面の接着機構の解析 (2015)
  • Author(s): 瀬本貴之、山内毅、吉澤一成
  • Journal Title: 日本接着学会誌 Volume: 51 Pages: 80-88
  • NAID: 130006138844
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] 接着現象に残された謎への挑戦 (2015)
  • Author(s): 吉澤一成
  • Journal Title: 化学 Volume: 70 Pages: 12-16
  • Acknowledgement Compliant
• [Presentation] Molecular Understanding of the Mechanism of Adhesion between Epoxy Resin and Metal Surface (2016)
  • Author(s): 吉澤 一成
  • Organizer: Japan-France-Spain Joint-Symposium on Theoretical and Computational Science of Complex Systems
  • Place of Presentation: 京都大学 福井謙一記念研究センター（京都市）
  • Year and Date: 2016-10-26
• [Presentation] アンモニア合成反応における理論と実験のインタープレイ (2016)
  • Author(s): 吉澤 一成
  • Organizer: 分子研研究会「触媒の分子科学：理論と実験のインタープレイ最前線」
  • Place of Presentation: 自然科学研究機構岡崎コンファレンスセンター会議室（岡崎市）
  • Year and Date: 2016-03-10
  • Invited
• [Presentation] 計算化学が先導するメタン酸化触媒の開発と触媒設計技術の創成 (2016)
  • Author(s): 吉澤 一成
  • Organizer: CRESTキックオフミーティング
  • Place of Presentation: TKP市谷カンファレンスルーム６A（東京都新宿区）
  • Year and Date: 2016-03-09
• [Presentation] 接着現象の分子論 (2016)
  • Author(s): 吉澤 一成
  • Organizer: 日本防錆技術学校 技術講演会「接着現象の分子論」
  • Place of Presentation: 大阪市立総合生涯学習センター（大阪市）
  • Year and Date: 2016-02-10
• [Presentation] 接着の分子論 (2016)
  • Author(s): 吉澤 一成
  • Organizer: 機能性ハイブリッド材料研究会 公開研究会
  • Place of Presentation: 回路会館地下会議室（東京都杉並区）
  • Year and Date: 2016-02-04
  • Invited
• [Presentation] Molecular Understanding of the Mechanism of Adhesion: From Epoxy Resin to Biological Recognition. (2016)
  • Author(s): Kazunari Yoshizawa
  • Organizer: 第5回統合物質国際シンポジウム
  • Place of Presentation: 名古屋大学野依記念物質科学研究館（名古屋市）
  • Year and Date: 2016-01-29
  • Int'l Joint Research
• [Presentation] Mechanism of NO reduction on a dinuclear metal complex. (2015)
  • Author(s): Kazunari Yoshizawa
  • Organizer: PACIFICHEM 2015
  • Place of Presentation: ハワイコンベンションセンター（アメリカ）
  • Year and Date: 2015-12-15
  • Int'l Joint Research
• [Presentation] Participation of multi-oxidants in the pH dependence of the reactivity of ferrate(VI). (2015)
  • Author(s): Kazunari Yoshizawa
  • Organizer: PACIFICHEM 2015
  • Place of Presentation: ハワイコンベンションセンター（アメリカ）
  • Year and Date: 2015-12-15
  • Int'l Joint Research / Invited
• [Presentation] ラジカル酵素の理論的考察 (2015)
  • Author(s): 吉澤 一成
  • Organizer: BMB2015
  • Place of Presentation: 神戸ポートピアホテル（神戸市）
  • Year and Date: 2015-12-01
  • Invited
• [Presentation] Mechanism of Nitrogen Fixation Catalyzed by a Dinitrogen-Bridged Dimolybdenum Complex. (2015)
  • Author(s): Kazunari Yoshizawa
  • Organizer: Spain-Japan Joint Symposium on Theoretical and Computational Chemistry of Complex Systems.
  • Place of Presentation: ICIQ Auditorium（スペイン）
  • Year and Date: 2015-11-25
  • Int'l Joint Research / Invited
• [Presentation] 大規模量子化学計算によるソフトマテリアルの物性と反応解析：酵素反応および界面現象など (2015)
  • Author(s): 吉澤 一成
  • Organizer: 京都市成長産業創造センター創立2周年記念フォーラム
  • Place of Presentation: 京都市成長産業創造センター（京都市）
  • Year and Date: 2015-10-14
  • Invited
• [Presentation] Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal-Oxo Species. (2015)
  • Author(s): Kazunari Yoshizawa
  • Organizer: 北海道大学触媒科学研究所改組記念講演会
  • Place of Presentation: 北海道大学（札幌市）
  • Year and Date: 2015-10-13
  • Int'l Joint Research / Invited
• [Presentation] 量子力学によるエポキシ樹脂の接着理論 (2015)
  • Author(s): 吉澤 一成
  • Organizer: エポキシ樹脂技術協会第43期特別講演会
  • Place of Presentation: ホテルグランドヒル市ヶ谷（東京都新宿区）
  • Year and Date: 2015-09-28
  • Invited
• [Presentation] Possible Peroxo State for the Dicopper Site of Particulate MethaneMonooxygenase. (2015)
  • Author(s): 吉澤 一成
  • Organizer: RIKEN Symposium
  • Place of Presentation: 理化学研究所和光キャンパス（埼玉県和光市）
  • Year and Date: 2015-06-16
  • Int'l Joint Research
• [Presentation] 一酸化窒素の還元機構について：二核ルテニウム錯体からの考察 (2015)
  • Author(s): 吉澤 一成
  • Organizer: 第42回生体分子科学討論会
  • Place of Presentation: 高崎シティギャラリーコアホール（群馬県高崎市）
  • Year and Date: 2015-06-12
• [Presentation] 物質創製化学における計算化学の役割と将来展望 (2015)
  • Author(s): 吉澤一成
  • Organizer: 第6回統合物質シンポジウム
  • Place of Presentation: 名古屋大学野依記念物質科学研究館（名古屋市）
  • Year and Date: 2015-04-14
  • Invited
• [Presentation] Frontier Orbital Rule for Electron Transport in Molecules. (2015)
  • Author(s): Kazunari Yoshizawa
  • Organizer: CECAM workshop
  • Place of Presentation: Chimie Paris Tech（フランス）
  • Year and Date: 2015-04-07
  • Int'l Joint Research / Invited
• [Remarks] 研究業績
  • URL: http://trout.scc.kyushu-u.ac.jp/yoshizawaJ/publications.html
• [Remarks] 研究業績
  • URL: http://trout.scc.kyushu-u.ac.jp/yoshizawaJ/pagesJ/publicationsJ.html