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Theoretical Studies on State Change of Enzymatic and Catalytic Species and Activity Control

Planned Research

Project AreaStimuli-responsive Chemical Species for the Creation of Functional Molecules
Project/Area Number 24109014
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionKyushu University

Principal Investigator

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

Co-Investigator(Renkei-kenkyūsha) SHIOTA Yoshihito  九州大学, 先導物質化学研究所, 准教授 (70335991)
Project Period (FY) 2012-06-28 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥43,810,000 (Direct Cost: ¥33,700,000、Indirect Cost: ¥10,110,000)
Fiscal Year 2016: ¥8,840,000 (Direct Cost: ¥6,800,000、Indirect Cost: ¥2,040,000)
Fiscal Year 2015: ¥8,840,000 (Direct Cost: ¥6,800,000、Indirect Cost: ¥2,040,000)
Fiscal Year 2014: ¥8,840,000 (Direct Cost: ¥6,800,000、Indirect Cost: ¥2,040,000)
Fiscal Year 2013: ¥8,840,000 (Direct Cost: ¥6,800,000、Indirect Cost: ¥2,040,000)
Fiscal Year 2012: ¥8,450,000 (Direct Cost: ¥6,500,000、Indirect Cost: ¥1,950,000)
Keywords量子化学 / 生体関連化学 / 金属酵素 / 電子物性 / 酵素反応 / 触媒
Outline of Final Research Achievements

We have carried out enzymatic and model systems that involve transition metals at the active centers using theoretical calculations. On the basis of large-scale calculations, we considered environmental effects and perturbational effects at the active centers of enzymes. In this study we did collaborative studies with experimental groups about metalloenzymes and model complexes. We demonstrated a spin-state change and electron transfer in proteins are main factors that determine metal-based enzymatic reactions.

Report

(6 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Annual Research Report
  • 2014 Annual Research Report
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • Research Products

    (153 results)

All 2017 2016 2015 2014 2013 2012 Other

All Int'l Joint Research (1 results) Journal Article (110 results) (of which Int'l Joint Research: 11 results,  Peer Reviewed: 110 results,  Open Access: 31 results,  Acknowledgement Compliant: 56 results) Presentation (38 results) (of which Int'l Joint Research: 5 results,  Invited: 17 results) Book (1 results) Remarks (3 results)

  • [Int'l Joint Research] El-Menoufia University(エジプト)

    • Related Report
      2016 Annual Research Report
  • [Journal Article] Electrical conductivity of dithiophene-based diblock molecular Junctions2017

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Anisotropic Change in Magnetic Susceptibility of a Dynamic Single Crystal of Cobalt(II) Complex2017

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [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
      2016 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
      2016 Annual Research Report
    • 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 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
      2016 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
      2016 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
      2016 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
      2016 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
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Persistent four-coordinate iron-centered radical stabilized by π-donation2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Heterometallic FeIII/K coordination polymer with a wide thermal hysteretic spin transition around room temperature2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Intraprotein transmethylation via a CH3–Co(III) species in myoglobin reconstituted with a cobalt corrinoid complex2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-field N2O4 Coordination Octahedron2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • 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 Myoglobin2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] The chemistry of benzodisilacyclobutenes and benzobis(disilacyclobutene)s: New development of transition-metal-catalyzed reactions, stereochemistry and theoretical studies2016

    • Author(s)
      M. Ishikawa, A. Naka, and K. Yoshizawa
    • Journal Title

      Dalton Trans.

      Volume: 45 Issue: 8 Pages: 3210-3235

    • DOI

      10.1039/c5dt04569j

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Homogeneous Photocatalytic Water Oxidation with a Dinuclear CoIII-Pyridylmethyl amine Complex2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Low-Mode Conformational Search Method with Semiempirical Quantum Mechanical Calculations: Application to Enantioselective Organocatalysis2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Possible Peroxo State of the Dicopper Site of Particulate Methane Monooxygenase from Combined Quantum Mechanics and Molecular Mechanics Calculations2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • 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

    • Related Report
      2016 Annual Research Report
    • 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 C2016

    • 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

    • Related Report
      2016 Annual Research Report 2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Superior Thermoelasticity and Shape-Memory Nanopores in a Porous Supramolecular Organic Framework2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] First-Principals Calculations of Electron Transport Through Azulene2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Interplay between Theory and Experiment for Ammonia Synthesis Catalyzed by Transition Metal Complexes2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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) Complexes2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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)-enes2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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 Ligand2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Computational Mutation Study on the Role of Catalytic Residues in Coenzyme B12-Dependent Diol Dehydratase2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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 Simulation2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Catalytic Transformation of Dinitrogen into Ammonia and Hydrazine by Iron-Dinitrogen Complexes Bearing Pincer Ligand2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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 States2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An Azulene-Fused Tetracene Diimide with a Small HOMO-LUMO Gap2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Direct Transformation of Molecular Dinitrogen into Ammonia Catalyzed by Cobalt Dinitrogen Complexes Bearing Anionic PNP Pincer Ligands2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Azaferrocene-Based PNP-Type Pincer Ligand: Synthesis of Molybdenum, Chromium, and Iron Complexes and Reactivity toward Nitrogen Fixation2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] A Ruthenium(III)-Oxyl Complex Bearing Strong Radical Character2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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 moiety2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Thermally Induced Intra-Carboxyl Proton Shuttle in a Molecular Rack-and-Pinion Cascade Achieving Macroscopic Crystal Deformation2016

    • 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

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Directional Electron Transfer in Crystals of [CrCo] Dinuclear Complexes Achieved by Chirality-Assisted Preparative Method2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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

    • Related Report
      2016 Annual Research Report
    • 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

    • Related Report
      2016 Annual Research Report
    • 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

    • Related Report
      2016 Annual Research Report
    • 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 Alcohols2016

    • 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

    • Related Report
      2016 Annual Research Report
    • 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 Structure2016

    • 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

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      2016 Annual Research Report
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  • [Journal Article] Synthesis and Structure of a Water-soluble μ-η1:η1-N2 Dinuclear RuII Complex with a Polyamine Ligand2016

    • Author(s)
      K. Yoshimoto, T. Yatabe, T. Matsumoto, A. Robertson, H. Nakai, H. Tanaka, T. Kamachi, Y. Shiota, K. Yoshizawa, K. Asazawa, H. Tanaka, Seiji Ogo
    • Journal Title

      Chemistry Letters

      Volume: 45 Issue: 2 Pages: 149-151

    • DOI

      10.1246/cl.151004

    • NAID

      130005124715

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      2015 Annual Research Report
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  • [Journal Article] Selective carbon dioxide adsorption of ε-Keggin-type zincomolybdate-based purely-inorganic 3D frameworks2015

    • Author(s)
      Zhenxin Zhang, Masahiro Sadakane, Shin-ichiro Noro, Toru Murayama, Takashi Kamachi, Kazunari Yoshizawa, and Wataru Ueda
    • Journal Title

      Journal of Materials Chemistry A

      Volume: 3 Issue: 2 Pages: 746-755

    • DOI

      10.1039/c4ta05496b

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      2015 Annual Research Report 2014 Annual Research Report
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  • [Journal Article] A Ferromagnetically Coupled Fe42 Cyanide-Bridged Nanocage2015

    • Author(s)
      S. Kang, H. Zheng, T. Liu, K. Hamachi, S. Kanegawa, K. Sugimoto, Y. Shiota, S. Hayami, M. Mito, T. Nakamura, M. Nakano, M. Baker, H. Nojiri, K. Yoshizawa, C. Duan, and O. Sato
    • Journal Title

      Nature Communications

      Volume: 6 Issue: 1 Pages: 5955-5955

    • DOI

      10.1038/ncomms6955

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      2015 Annual Research Report 2014 Annual Research Report
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  • [Journal Article] Formation and Characterization of a Reactive Chromium(V)-Oxo Complex: A Mechanistic Insight into Hydrogen-Atom Transfer Reactions2015

    • Author(s)
      H. Kotani, S. Kaida, T. Ishizuka, M. Sakaguchi, T. Ogura, Y. Shiota, K. Yoshizawa, T. Kojima
    • Journal Title

      Chemical Science

      Volume: 6 Issue: 2 Pages: 945-955

    • DOI

      10.1039/c4sc02285h

    • NAID

      120007130469

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      2015 Annual Research Report 2014 Annual Research Report
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  • [Journal Article] Controlling the redox properties of a pyrroloquinolinequinone (PQQ) derivative in a ruthenium(II) coordination sphere2015

    • Author(s)
      Hiroumi Mitome, Tomoya Ishizuka, Yoshihito Shiota, Kazunari Yoshizawa, Takahiko Kojima
    • Journal Title

      Dalton Transactions

      Volume: 44 Issue: 7 Pages: 3151-3158

    • DOI

      10.1039/c4dt03358b

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      2015 Annual Research Report
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  • [Journal Article] Mechanistic Study of Methanol Oxidation by RuIV-oxo complexes2015

    • Author(s)
      Y. Shiota, S. Takahashi, S. Ohzu, T. Ishizuka, T. Kojima, K. Yoshizawa
    • Journal Title

      Journal of Porphyrins and Phthalocyanines

      Volume: 19 Issue: 01-03 Pages: 417-427

    • DOI

      10.1142/s1088424615500285

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      2015 Annual Research Report
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  • [Journal Article] Mechanistic Aspects in the Direct Synthesis of Hydrogen Peroxide from First Principles2015

    • Author(s)
      J. Li and K. Yoshizawa
    • Journal Title

      Catal. Today

      Volume: 248 Pages: 142-148

    • DOI

      10.1016/j.cattod.2014.04.009

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      2015 Annual Research Report
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  • [Journal Article] Computational Exploration of the Mechanism of the Hydrogenation Step of the Anthraquinone Process for Hydrogen peroxide Production2015

    • Author(s)
      T. Kamachi, T. Ogata, E. Mori, K. Iura, N. Okuda, M. Nagata, K. Yoshizawa
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 119 Issue: 16 Pages: 8748-8754

    • DOI

      10.1021/acs.jpcc.5b01325

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      2015 Annual Research Report
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  • [Journal Article] Cobalt-Catalyzed Transformation of Molecular Dinitrogen into Silylamine under Ambient Reaction Conditions2015

    • Author(s)
      Ryuji Imayoshi, HIromasa Tanaka, Yuki Matsuo, Masahiro Yuki, Kazunari Nakajima, Kazunari Yoshizawa, Yoshiaki Nishibayashi
    • Journal Title

      Chemistry - A European Journal

      Volume: 21 Issue: 24 Pages: 8905-8909

    • DOI

      10.1002/chem.201501088

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      2015 Annual Research Report
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  • [Journal Article] Catalytic Reduction of Dinitrogen into Ammonia by Use of Molybdenum-Nitride Complexes Bearing Tridentate Triphosphine as Catalysts2015

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

      J. Am. Chem. Soc.

      Volume: 137 Issue: 17 Pages: 5666-5669

    • DOI

      10.1021/jacs.5b02579

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      2015 Annual Research Report
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  • [Journal Article] Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum-dinitrogen complexes: unique behavior of ferrocene moiety as redox active site2015

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

      Chem. Sci.

      Volume: 6 Issue: 7 Pages: 3940-3951

    • DOI

      10.1039/c5sc00545k

    • NAID

      120005841408

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      2015 Annual Research Report
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  • [Journal Article] Proton-Assisted Mechanism of NO Reduction on a Dinuclear Ruthenium Complex2015

    • Author(s)
      T. Suzuki, H. Tanaka, Y. Shiota, P. K. Sajith, Y. Arikawa, and K. Yoshizawa
    • Journal Title

      Inorg. Chem.

      Volume: 54 Issue: 15 Pages: 7181-7191

    • DOI

      10.1021/acs.inorgchem.5b00394

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      2015 Annual Research Report
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  • [Journal Article] Synergic Catalysis of PdCu Alloy Nanoparticles within a Macroreticular Basic Resin for Hydrogen Production from Formic Acid2015

    • Author(s)
      K. Mori, H. Tanaka, M. Dojo, K. Yoshizawa, and H. Yamashita
    • Journal Title

      Chem. Eur. J.

      Volume: 21 Issue: 34 Pages: 12085-12092

    • DOI

      10.1002/chem.201501760

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      2015 Annual Research Report
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  • [Journal Article] cis-1,2-Aminohydroxylation of Alkenes Involving a Catalytic Cycle of Osmium(III) and Osmium(V) Centers: Os(V)(O)(NHTs) Active Oxidant with a Macrocyclic Tetradentate Ligand2015

    • Author(s)
      Hideki Sugimoto, Akine Mikami, Kenichiro Kai, P. K. Sajith, Yoshihito Shiota, Kazunari Yoshizawa, Kaori Asano, Takeyuki Suzuki, and Shinobu Itoh
    • Journal Title

      Inorg. Chem.

      Volume: 54 Issue: 14 Pages: 7073-7082

    • DOI

      10.1021/acs.inorgchem.5b01083

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      2015 Annual Research Report
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  • [Journal Article] Formation and nitrile hydrogenation performance of Ru nanoparticles on a K-doped Al2O3 surface2015

    • Author(s)
      S. Muratsugu, S. Kityakarn, F. Wang, N. Ishiguro, T. Kamachi, K. Yoshizawa, O. Sekizawa, T. Uruga, M. Tada
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 17 Issue: 38 Pages: 24791-24802

    • DOI

      10.1039/c5cp03456f

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      2015 Annual Research Report
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  • [Journal Article] Redox Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation2015

    • Author(s)
      H. Kotani, T. Sugiyama, T. Ishizuka, Y. Shiota, K. Yoshizawa, T. Kojima
    • Journal Title

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

      Volume: 137 Issue: 35 Pages: 11222-11225

    • DOI

      10.1021/jacs.5b06237

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      2015 Annual Research Report
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  • [Journal Article] Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions2015

    • Author(s)
      T. Tada and K. Yoshizawa
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 17 Issue: 48 Pages: 32099-32110

    • DOI

      10.1039/c5cp05423k

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      2015 Annual Research Report
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  • [Journal Article] Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex2015

    • Author(s)
      S.-Q. Su, T. Kamachi, Z.-S. Yao, Y.-G. Huang, Y. Shiota, K. Yoshizawa, N. Azuma, Y. Miyazaki, M. Nakano, G. Maruta, S. Takeda, S. Kang, S. Kanegawa, O. Sato
    • Journal Title

      Nature Communications

      Volume: 6 Issue: 1 Pages: 8810-8810

    • DOI

      10.1038/ncomms9810

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      2015 Annual Research Report
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  • [Journal Article] Hydrogen Atom Abstraction Reactions Independent of C-H Bond Dissociation Energies of Organic Substrates in Water: Significance of Oxidant-Substrate Adduct Formation2014

    • Author(s)
      T. Ishizuka, S. Ohzu, H. Kotani, Y. Shiota, K. Yoshizawa, T. Kojima
    • Journal Title

      Chem. Sci.

      Volume: 5 Issue: 4 Pages: 1429-1436

    • DOI

      10.1039/c3sc53002g

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      2014 Annual Research Report 2013 Annual Research Report
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  • [Journal Article] Enantioselective Alkylation by Binaphthyl Chiral Phase-Transfer Catalysts: A DFT-Based Conformational Analysis2014

    • Author(s)
      T. Kamachi and K. Yoshizawa
    • Journal Title

      Org. Lett.

      Volume: 16 (2) Issue: 2 Pages: 472-475

    • DOI

      10.1021/ol4033545

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      2014 Annual Research Report 2013 Annual Research Report
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  • [Journal Article] Mechanism of N-H Bond Cleavage of Aniline by a Dearomatized PNP-Pincer Type Phosphaalkene Complex of Iridium (I)2014

    • Author(s)
      Yung-Hung Chang, Yumiko Nakajima, Hiromasa Tanaka, Kazunari Yoshizawa, and Fumiyuki Ozawa
    • Journal Title

      Organometallics

      Volume: 33 Issue: 3 Pages: 715-721

    • DOI

      10.1021/om401053j

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Unique Behaviour of Dinitrogen-Bridged Dimolybdenum Complexes Bearing Pincer Ligand towards Catalytic Formation of Ammonia2014

    • Author(s)
      Hiromasa Tanaka, Kazuya Arashiba, Shogo Kuriyama, Akira Sasada, Kazunari Nakajima, Kazunari Yoshizawa, Yoshiaki Nishibayashi
    • Journal Title

      Nature Communications

      Volume: 5 Issue: 1

    • DOI

      10.1038/ncomms4737

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      2014 Annual Research Report
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  • [Journal Article] Roles of Carboxylate Donors in O-O Bond Scission of Peroxodiiron(III) to High-Spin Oxodiiron(IV) with a New Carboxylate-Containing Dinucleating Ligand2014

    • Author(s)
      M. Kodera, T. Tsuji, T. Yasunaga, Y. Kawahara, T. Hirano, Y. Hitomi, T. Nomura, T. Ogura, Y. Kobayashi, Sajith P. K., Y. Shiota, and K. Yoshizawa
    • Journal Title

      Chem. Sci.

      Volume: 5 Issue: 6 Pages: 2282-2292

    • DOI

      10.1039/c3sc51541a

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] 309."Role of Acidic Proton in the Decomposition of NO over Dimeric Cu(I) Active Sites in Cu-ZSM-5 Catalyst: A QM/MM Study2014

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

      ACS Catal.

      Volume: 4 Issue: 6 Pages: 2075-2085

    • DOI

      10.1021/cs500223z

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Computational Mutation Design of Diol Dehydratase: Catalytic Ability toward Glycerol beyond the Wild-Type Enzyme2014

    • Author(s)
      Doitomi, K.; Tanaka, H.; Kamachi, T.; Toraya, T.; Yoshizawa, K.
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 87 Issue: 9 Pages: 950-959

    • DOI

      10.1246/bcsj.20140115

    • NAID

      130004153315

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand2014

    • Author(s)
      Shogo Kuriyama, Kazuya Arashiba, Kazunari Nakajima, Hiromasa Tanaka, Nobuaki Kamaru, Kazunari Yoshizawa, Yoshiaki Nishibayashi
    • Journal Title

      Journal of the American Chemical Society

      Volume: 136 Issue: 27 Pages: 9719-9731

    • DOI

      10.1021/ja5044243

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Binding of Scandium Ions to Metalloporphyrin–Flavin Complexes for Long-Lived Charge Separation2014

    • Author(s)
      T. Kojima, R. Kobayashi, T. Ishizuka, S. Yamakawa, H. Kotani, T. Nakanishi, K. Ohkubo, Y. Shiota, K. Yoshizawa, and S. Fukuzumi
    • Journal Title

      Chem. Eur. J.

      Volume: 20 Issue: 47 Pages: 15518-15532

    • DOI

      10.1002/chem.201403960

    • NAID

      120007136507

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Molecular Motor-driven Abrupt Anisotropic Shape Change in a Single Crystal of a Ni Complex2014

    • Author(s)
      Z.-S. Yao, M. Mito, T. Kamachi, Y. Shiota, K. Yoshizawa, N. Azuma, Y. Miyazaki, K. Takahashi, K. Zhang, T. Nakanishi, S. Kang, S. Kanegawa, O. Sato
    • Journal Title

      Nature Chem.

      Volume: 6 Issue: 12 Pages: 1079-1083

    • DOI

      10.1038/nchem.2092

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Cleavage and Formation of Molecular Dinitrogen in a Single System Assisted by Molybudenum Complexes Bearing Ferrocenyldiphosphine2014

    • Author(s)
      T. Miyazaki, H. Tanaka, Y. Tanabe, M. Yuki, K. Nakajima, K. Yoshizawa, and Y. Nishibayashi
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 53 Issue: 43 Pages: 11488-11492

    • DOI

      10.1002/anie.201405673

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] QSAR Study on the Inhibition Mechanism of Matrix Metalloproteinase-12 by Arylsulfone Analogues Based on Molecular Orbital Calculations2014

    • Author(s)
      S. Hitaoka, H. Chuman, and K. Yoshizawa
    • Journal Title

      Org. Biomol. Chem.

      Volume: 13 Issue: 3 Pages: 793-806

    • DOI

      10.1039/c4ob01843e

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Photoswitching of Conductance through Salicylidene Methylamine2014

    • Author(s)
      A. Staykov, M. Watanabe, T. Ishihara, and K. Yoshizawa
    • Journal Title

      J. Phys. Chem. C

      Volume: 118 Issue: 47 Pages: 27539-27548

    • DOI

      10.1021/jp5081884

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] Tetranuclear Ruthenium(II) Complex with a Dinucleating Ligand Forming Multi-Mixed-Valence States2014

    • Author(s)
      S. Ohzu, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, T. Kojima
    • Journal Title

      Inorganic Chemistry

      Volume: 53 Issue: 24 Pages: 12677-12679

    • DOI

      10.1021/ic502422u

    • Related Report
      2014 Annual Research Report
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  • [Journal Article] DFT Study of the Mechanism for Methane Hydroxylation by Solube Methane Monooxygenase (sMMO) : Effects of Oxidation State, Spin State, and Coordinaton Number2013

    • Author(s)
      Huang Shu-Ping, et al
    • Journal Title

      Dalton Trans.

      Volume: 42 Issue: 4 Pages: 1011-1023

    • DOI

      10.1039/c2dt31304a

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thiophene-Fused Bisdehydro[12]annulene That Undergoes Transannular Alkyne Cycloaddition by Either Light or Heat2013

    • Author(s)
      A. Fukazawa, H. Oshima, Y. Shiota, S. Takahashi, K. Yoshizawa, S. Yamaguchi
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 135 Issue: 5 Pages: 1731-1734

    • DOI

      10.1021/ja3126849

    • Related Report
      2013 Annual Research Report
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  • [Journal Article] Heteronuclear RuIIAgI Complexes Having a Pyrroloquinolinequinone (PQQ) Derivative as a Bridging Ligand2013

    • Author(s)
      H. Mitome, T. Ishizuka, Y. Shiota, K. Yoshizawa,T. Kojima
    • Journal Title

      Inorg. Chem.

      Volume: 52 Issue: 5 Pages: 2274-2276

    • DOI

      10.1021/ic302617b

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Complete Photochromic Structural Change of Ruthenium(II)-Diimine Complexes Based on the Control of the Excited States by Metallation2013

    • Author(s)
      T. Sawaki, T. Ishizuka, M. Kawano, Y. Shiota, K. Yoshizawa, and T. Kojima
    • Journal Title

      Chem. Eur. J.

      Volume: 19 Issue: 27 Pages: 8978-8990

    • DOI

      10.1002/chem.201300437

    • Related Report
      2013 Annual Research Report
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  • [Journal Article] Multiply-Fused Porphyrins-Effects of Extended π-Conjugation on the Optical and Electrochemical Properties2013

    • Author(s)
      T. Ishizuka, Y. Saegusa, Y. Shiota, K. Ohtake, K. Yoshizawa, and T. Kojima
    • Journal Title

      Chem. Commun.

      Volume: 49 Issue: 53 Pages: 5939-5941

    • DOI

      10.1039/c3cc42831a

    • NAID

      120007136573

    • Related Report
      2013 Annual Research Report
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  • [Journal Article] Role of Tyrosine Residue in Methane Activation at the Dicopper Site of pMMO: A DFT Study2013

    • Author(s)
      Y. Shiota, G. Juhasz, K. Yoshizawa
    • Journal Title

      Inorg. Chem.

      Volume: 52 Issue: 14 Pages: 7907-7917

    • DOI

      10.1021/ic400417d

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Bipodal Dicyano Anchor Unit for Single-Molecule Spintronic Devices2013

    • Author(s)
      辻雄太・瀬本貴之・吉澤一成
    • Journal Title

      ChemPhysChem

      Volume: 14 Issue: 11 Pages: 2470-2475

    • DOI

      10.1002/cphc.201300136

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Asymmetric Diarylethene as a Dual-Functional Device Combining Switch and Diode2013

    • Author(s)
      辻雄太・古賀惇也・吉澤一成
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 86 Issue: 8 Pages: 947-954

    • DOI

      10.1246/bcsj.20130089

    • NAID

      10031189237

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand2013

    • Author(s)
      Yung-Hung Chang, Yumiko Nakajima, Hiromasa Tanaka, Kazunari Yoshizawa, and Fumiyuki Ozawa
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 135 Issue: 32 Pages: 11791-11794

    • DOI

      10.1021/ja407163z

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds2013

    • Author(s)
      S. Huang, Q. Zhang, Y. Shiota, T. Nakagawa, H. Kuwabara, K. Yoshizawa, and C. Adachi
    • Journal Title

      J. Chem. Theor. Comp.

      Volume: 9 Issue: 9 Pages: 3872-3877

    • DOI

      10.1021/ct400415r

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multi-Step Spin Crossover Accompanied by Symmetry Breaking in an Fe(III) Complex: Crystallographic Evidence and DFT Studies2013

    • Author(s)
      Z.-Y. Li, J.-W. Dai, Y. Shiota, K. Yoshizawa, S. Kanegawa, and O. Sato
    • Journal Title

      Chem. Eur. J.

      Volume: 19 Issue: 39 Pages: 12948-12952

    • DOI

      10.1002/chem.201302272

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal-Oxo Species2013

    • Author(s)
      K. Yoshizawa
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 86 Issue: 10 Pages: 1083-1116

    • DOI

      10.1246/bcsj.20130127

    • NAID

      10031201267

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Oxidation of Silanes to Silanols on Pd Nanoparticles: H2 Desorption Accelerated by Surface Oxygen Atom2013

    • Author(s)
      T. Kamachi, K. Shimizu, D. Yoshihiro, K. Igawa, K. Tomooka, and K. Yoshizawa
    • Journal Title

      J. Phys. Chem. C

      Volume: 117 Issue: 44 Pages: 22967-22973

    • DOI

      10.1021/jp408269s

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Light-induced Spin-crossover Actuated Single-chain Magnet2013

    • Author(s)
      T. Liu, H. Zheng, S. Kang, Y. Shiota, S. Hayami, M. Mito, O. Sato, K. Yoshizawa, S. Kanegawa, and C. Duan
    • Journal Title

      Nature Commun.

      Volume: 4 Issue: 1 Pages: 2826-2826

    • DOI

      10.1038/ncomms3826

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Role of Edge Oxygen Atoms on the Adhesive Interaction between Carbon Fiber and Epoxy Resin2013

    • Author(s)
      瀬本貴之・辻雄太・田中宏昌・吉澤一成
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 117 Issue: 47 Pages: 24830-24835

    • DOI

      10.1021/jp407835d

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Initial Step of B12-Dependent Enzymatic Catalysis: Energetic Implications Regarding Involvement of One-electron Reduced Form of Adenosylcobalamin Cofactor2012

    • Author(s)
      P. M. Kozlowski et al
    • Journal Title

      J. Biol. Inorg. Chem.

      Volume: 17 Issue: 2 Pages: 293-300

    • DOI

      10.1007/s00775-011-0850-3

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mechanistic Insight into the Cleavage of an Aromatic C–C Bond by Tungsten2012

    • Author(s)
      J. Li et al
    • Journal Title

      Chem. Eur. J.

      Volume: 16 Issue: 3 Pages: 783-787

    • DOI

      10.1002/chem.201101899

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Orbital Views on Electron Transport Properties of Cyclophanes: Insight into Intermolecular Transport2012

    • Author(s)
      X. Li et al
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 85 Issue: 2 Pages: 181-188

    • DOI

      10.1246/bcsj.20110256

    • NAID

      130004153027

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Rectifier Based on π-π Stacked Charge Transfer Complex2012

    • Author(s)
      Tsuji, et al
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 116 Issue: 3 Pages: 2575-2580

    • DOI

      10.1021/jp209547a

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Reductive Elimination Reaction Pathway for Methylcobalamin-mediated Homocysteine to Methionine Conversion: Mechanistic Ramifications for the Catalytic Cycle of Cobalamin-Dependent Methionine Synthase2012

    • Author(s)
      P. M. Kozlowski et al
    • Journal Title

      J. Biol. Inorg. Chem.

      Volume: 17 Issue: 4 Pages: 611-619

    • DOI

      10.1007/s00775-012-0881-4

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Reversible Electron Transfer in a Linear {Fe2Co} Trinuclear Complex Induced by Thermal Treatment and Photoirraditaion2012

    • Author(s)
      T. Liu, D.-P. Dong, S. Kanegawa, S. Kang, O. Sato, Y. Shiota, K. Yoshizawa, S. Hayami, S. Wu, C. He, C.-Y. Duan
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 51 Issue: 18 Pages: 4367-4370

    • DOI

      10.1002/anie.201201305

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Naphthalene and Anthracene Complexes Sandwiched by Two Cp*FeI Fragments: Strong Electronic Coupling Between the FeI Centers2012

    • Author(s)
      T. Hatanaka et al
    • Journal Title

      Chem. Asian J.

      Volume: 7 Issue: 6 Pages: 1231-1242

    • DOI

      10.1002/asia.201101037

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Substrate Specificity of Fluoroacetate Dehalogenase: An Insight from Crystallographic Analysis, Fluorescence Spectroscopy, and Theoretical Computations2012

    • Author(s)
      T. Nakayama et al
    • Journal Title

      Chem. Eur. J.

      Volume: 18 Issue: 27 Pages: 8392-8402

    • DOI

      10.1002/chem.201103369

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Understanding of the Adhesive Force between a Metal Oxide Surface and an Epoxy Resin: Effects of Surface Water2012

    • Author(s)
      T. Semoto et al
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 85 Issue: 6 Pages: 672-678

    • DOI

      10.1246/bcsj.20120028

    • NAID

      130004059051

    • ISSN
      0009-2673, 1348-0634
    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Substituent Effects in Thermal Reactions of a Silene with Silyl-Substituted Alkynes: A Theoretical Study2012

    • Author(s)
      H. Tanaka, Y. Shiota, K. Hori, A. Naka, M. Ishikawa, K. Yoshizawa
    • Journal Title

      Organometallics

      Volume: 31 Issue: 13 Pages: 4737-4747

    • DOI

      10.1021/om300310g

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Orbital Determining Spintronic Properties a π-Conjugated System2012

    • Author(s)
      Tsuji, et a1
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 116 Issue: 30 Pages: 16325-16332

    • DOI

      10.1021/jp305448q

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Oxygen Activation on Nanometer-Size Gold Nanoparticles2012

    • Author(s)
      A. Staykov et al
    • Journal Title

      J. Phys. Chem. C

      Volume: 116 Issue: 30 Pages: 15992-16000

    • DOI

      10.1021/jp301898t

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Current Rectification in Nitrogen- and Boron-Doped Nanographenes and Cyclophanes2012

    • Author(s)
      Staykov, et a1
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 116 Issue: 34 Pages: 18451-18459

    • DOI

      10.1021/jp303843k

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum mechanical/molecular mechanical study of a mechanism for heme oxidation by heme oxygenase2012

    • Author(s)
      T. Kamachi et al
    • Journal Title

      Dalton Trans.

      Volume: 41 Issue: 38 Pages: 11642-11650

    • DOI

      10.1039/c2dt30777d

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An Orbital Rule for Electron Transport in Molecules2012

    • Author(s)
      K. Yoshizawa
    • Journal Title

      Acc. Chem. Res.

      Volume: 45 Issue: 9 Pages: 1612-1621

    • DOI

      10.1021/ar300075f

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Orbital Control of Single-Molecule Conductance Perturbed by π-accepting Anchor Groups: Cyanide and Isocyanide2012

    • Author(s)
      J. Koga et al
    • Journal Title

      J. Phys. Chem. C

      Volume: 116 Issue: 38 Pages: 20607-20616

    • DOI

      10.1021/jp3068156

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Surface Oxygen Atom as Cooperative Ligand in Pd Nanoparticles Catalysis for Selective Hydration of Nitriles to Amides in Water: Experimental and Theoretical Studies2012

    • Author(s)
      K. Shimizu et al
    • Journal Title

      ACS Catalysis

      Volume: 2 Issue: 12 Pages: 2467-2474

    • DOI

      10.1021/cs3006154

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mechanism of Glycerol Dehydration by Diol Dehydratase from Combined QM/MM Calculations2012

    • Author(s)
      K. Doitomi, et al.
    • Journal Title

      Biochemistry

      Volume: 51 Issue: 45 Pages: 9202-9210

    • DOI

      10.1021/bi300488u

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Iron-Catalyzed Transformation of Molecular Dinitrogen into Silylamine under Ambient Conditions2012

    • Author(s)
      M. Yuki et al
    • Journal Title

      Nature Commun.

      Volume: 3 Issue: 1

    • DOI

      10.1038/ncomms2264

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Current Rectification through tt-πStacking in Multilayered Donor-Acceptor Cyclophanes2012

    • Author(s)
      Tsuji, et a1
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 116 Issue: 50 Pages: 26625-26635

    • DOI

      10.1021/jp308849t

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydrolytic Enantioselective Protonation of Dienyl Esters and a Racemic β-Diketone with Chiral Phase-Transfer Catalysts2012

    • Author(s)
      E. Yamamoto et al
    • Journal Title

      Org. Lett.

      Volume: 14 Issue: 24 Pages: 6178-6181

    • DOI

      10.1021/ol3027363

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Presentation] Quantum Chemical Studies for the Development of Innovative Catalysts2016

    • Author(s)
      吉澤 一成
    • Organizer
      ANSCSE 20
    • Place of Presentation
      Kasetsart University(タイ)
    • Year and Date
      2016-07-27
    • Related Report
      2016 Annual Research Report
  • [Presentation] 接着の分子論2016

    • Author(s)
      吉澤 一成
    • Organizer
      新学術領域研究第5回公開シンポジウム
    • Place of Presentation
      東広島芸術文化ホールくらら小ホール(東広島市)
    • Year and Date
      2016-05-19
    • Related Report
      2016 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Participation of Multi-Oxidants in the pH Dependence of the Reactivity of Ferrate(VI).2015

    • Author(s)
      Kazunari Yoshizaw
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 金属酵素の反応性に関する理論的研究2014

    • Author(s)
      吉澤 一成
    • Organizer
      新学術領域研究 第2回若手国際シンポジウム
    • Place of Presentation
      大阪大学豊中キャンパス基礎工学国際棟(大阪府豊中市)
    • Year and Date
      2014-12-09 – 2014-12-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] 二核銅構造によるメタンの酸化に関する理論的研究2014

    • Author(s)
      吉澤 一成
    • Organizer
      第47回酸化反応討論会
    • Place of Presentation
      市民会館崇城大学ホール(熊本市)
    • Year and Date
      2014-11-14 – 2014-11-15
    • Related Report
      2014 Annual Research Report
  • [Presentation] 量子化学計算による感応性化学種の研究2014

    • Author(s)
      吉澤 一成
    • Organizer
      新学術領域研究 第1回特別シンポジウム
    • Place of Presentation
      タワーホール船堀4回研修室(東京都江戸川区)
    • Year and Date
      2014-10-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] 金属と樹脂の接着に関する理論的研究2014

    • Author(s)
      吉澤 一成
    • Organizer
      第8回分子科学討論会2014
    • Place of Presentation
      広島大学東広島キャンパス(東広島市)
    • Year and Date
      2014-09-21 – 2014-09-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] 分子伝導の軌道理論2014

    • Author(s)
      吉澤一成
    • Organizer
      第27回DV-Xα研究会
    • Place of Presentation
      名古屋大学東山キャンパス野依記念学術交流館1F(名古屋市)
    • Year and Date
      2014-08-06 – 2014-08-08
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on the Mechanism of Nitrogen Fixation Catalyzed by a Dinitrogen-Bridged Dimolybdenum2014

    • Author(s)
      吉澤 一成
    • Organizer
      ICOMC 2014
    • Place of Presentation
      ロイトン札幌(札幌市)
    • Year and Date
      2014-07-13 – 2014-07-18
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Frontier Orbital Rule for Electron Transport in Molecules2014

    • Author(s)
      吉澤 一成
    • Organizer
      5th French-Japanese Workshop on Computational Methods in Chemistry
    • Place of Presentation
      University of Strasbourg【フランス】
    • Year and Date
      2014-06-30 – 2014-07-01
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] How Heme Metabolism Occurs by Heme Oxygenase: Water-Assisted Oxo Mechanisms2014

    • Author(s)
      吉澤 一成
    • Organizer
      ICPP-8
    • Place of Presentation
      Istanbul Lütfi Kirdar Convention and Exhibition Centre(トルコ)
    • Year and Date
      2014-06-22 – 2014-06-27
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Molecular Theory of Adhesion2014

    • Author(s)
      吉澤 一成
    • Organizer
      新学術領域研究 第3回公開シンポジウム
    • Place of Presentation
      つくば国際会議場(つくば市)
    • Year and Date
      2014-06-16 – 2014-06-17
    • Related Report
      2014 Annual Research Report
  • [Presentation] 接着の分子論2014

    • Author(s)
      吉澤 一成
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学ES総合館(名古屋市)
    • Year and Date
      2014-05-22 – 2014-05-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] Frontier Orbital Rule for Electron Transport in Molecules2014

    • Author(s)
      吉澤 一成
    • Organizer
      ISRIUM 2014
    • Place of Presentation
      アステールプラザ(広島市)
    • Year and Date
      2014-04-01 – 2014-04-06
    • Related Report
      2014 Annual Research Report
  • [Presentation] 分子中の電子輸送とスピン制御に関する軌道理論2013

    • Author(s)
      吉澤 一成
    • Organizer
      新学術領域研究「感応性化学種が拓く新物質化学」第1回国際シンポジウム
    • Place of Presentation
      メルパルク広島(広島県)
    • Year and Date
      2013-03-26
    • Related Report
      2012 Annual Research Report
  • [Presentation] 金属エポキシ樹脂界面の接着に関する理論的研2013

    • Author(s)
      吉澤 一成
    • Organizer
      第62回高分子学会年次大会
    • Place of Presentation
      京都国際会館(京都市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 分子の電子輸送とスピン制御の軌道理論2013

    • Author(s)
      吉澤 一成
    • Organizer
      第2回新学術領域研究「感応生化学種」シンポジウム
    • Place of Presentation
      九州大学医学部百年記念講堂(福岡市)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 量子化学計算による金属酵素の構造と反応性に関する研究2013

    • Author(s)
      吉澤 一成
    • Organizer
      第13回日本蛋白質科学会年会
    • Place of Presentation
      とりぎん文化会館(鳥取市)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Role of tyrosine residue in methane activation by pMMO2013

    • Author(s)
      吉澤 一成
    • Organizer
      ICBIC 16
    • Place of Presentation
      Alpexpo center(フランス)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Orbital views of molecular conductance and spintronics2013

    • Author(s)
      吉澤 一成
    • Organizer
      ISTCP-VIII
    • Place of Presentation
      Budapest Congress Center(ハンガリー)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 膜結合型メタンものオキシゲナーゼの反応機構に関する理論的研究2012

    • Author(s)
      吉澤 一成
    • Organizer
      第45回酸化反応討論会
    • Place of Presentation
      名古屋市立大学病院中央診療棟3階大ホール(愛知県)
    • Year and Date
      2012-11-16
    • Related Report
      2012 Annual Research Report
  • [Presentation] 生体系における感応性化学種に関する理論的研究2012

    • Author(s)
      吉澤 一成
    • Organizer
      新学術領域研究「感応性化学種が拓く新物質化学」第1回公開シンポジウム
    • Place of Presentation
      京都大学・宇治おうばくプラザ・きはだホール(京都府)
    • Year and Date
      2012-09-29
    • Related Report
      2012 Annual Research Report
  • [Presentation] Spin-Crossover Phenomena in Electronic Properties and Chemical Reactions Mediated by Transition Metals2012

    • Author(s)
      吉澤 一成
    • Organizer
      CECAM workshop ゛Spin states in biochemistry and inorganic chemistry″
    • Place of Presentation
      University of Zaragoza(スペイン)
    • Year and Date
      2012-09-18
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Book] 金属錯体の量子・計算化学2014

    • Author(s)
      塩田、蒲池、吉澤
    • Total Pages
      529
    • Publisher
      三共出版
    • Related Report
      2014 Annual Research Report
  • [Remarks] 研究業績

    • URL

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

    • Related Report
      2016 Annual Research Report
  • [Remarks] 研究業績

    • URL

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

    • Related Report
      2015 Annual Research Report
  • [Remarks] 吉澤研究室ホームページ

    • URL

      http://10.100.0.24/yoshizawaJ/index.html

    • Related Report
      2013 Annual Research Report

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Published: 2012-11-27   Modified: 2019-07-29  

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