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Theoretical Studies on Controlling System in Chiral Bronsted Acid Catalyzed Reactions

Planned Research

Project AreaAdvanced Molecular Transformations by Organocatalysts
Project/Area Number 23105005
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 InstitutionRikkyo University

Principal Investigator

YAMANAKA Masahiro  立教大学, 理学部, 教授 (60343167)

Co-Investigator(Kenkyū-buntansha) TSUZUKI Seiji  国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センター, 上級主任研究員 (10357527)
内丸 忠文  独立行政法人産業技術総合研究所, ナノシステム研究部門, 主任研究員 (00151895)
Research Collaborator UCHIMARU Tadafumi  
Project Period (FY) 2011-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥39,520,000 (Direct Cost: ¥30,400,000、Indirect Cost: ¥9,120,000)
Fiscal Year 2015: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2014: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2013: ¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2012: ¥12,480,000 (Direct Cost: ¥9,600,000、Indirect Cost: ¥2,880,000)
Fiscal Year 2011: ¥13,130,000 (Direct Cost: ¥10,100,000、Indirect Cost: ¥3,030,000)
Keywords有機分子触媒 / 計算化学 / 反応機構 / リン酸触媒 / グアニジン触媒 / 求核触媒 / ハロゲン結合 / キラルリン酸触媒 / ピロリジノピリジン触媒 / 理論計算 / プロリノール触媒 / プロリノール型触媒 / 量子化学計算 / 立体制御機構
Outline of Final Research Achievements

Recent development of computational chemistry has now made theoretical approach a powerful tool to gain deep insights into the origins of chemo-, regio-, and stereoselectivities in asymmetric organocatalysis. Toward the rational design and development of high-performance organocatalysts, controlling systems in various asymmetric organocatalysis has been continuously investigated together with great collaborators. We herein elucidated that the major factors in controlling selectivities of asymmetric organocatalysis are the precised networks of multiple hydrogen bonds and attractive dispersion interactions between organocatalyst and substrates.

Report

(6 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Annual Research Report
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • 2011 Annual Research Report
  • Research Products

    (194 results)

All 2016 2015 2014 2013 2012 2011 Other

All Journal Article (58 results) (of which Peer Reviewed: 56 results,  Acknowledgement Compliant: 11 results,  Open Access: 1 results) Presentation (135 results) (of which Int'l Joint Research: 8 results,  Invited: 17 results) Book (1 results)

  • [Journal Article] Hydrogen Bonds-Enabled Design of a C1-Symmetric Chiral Broensted Acid Catalyst2016

    • Author(s)
      Norie Momiyama, Kosuke Funayama, Hirofumi Noda, Masahiro Yamanaka, Naohiko Akasaka, Shintaro Ishida, Takeaki Iwamoto, and Masahiro Terada
    • Journal Title

      ACS Catal.

      Volume: 6 Issue: 2 Pages: 949-956

    • DOI

      10.1021/acscatal.5b02079

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis of (+)-trans-Dihydrolycoricidine by an Organocatalytic Enantioselective Friedel-Crafts Reaction2016

    • Author(s)
      Kato, M.; Yasui, K.; Yamanaka, M.; Nagasawa, K.
    • Journal Title

      Asian J. Org. Chem.

      Volume: 5 Issue: 3 Pages: 380-388

    • DOI

      10.1002/ajoc.201500469

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Insights into the Molecular Recognition Process in Organocatalytic Chemoselective Monoacylation of 1,5-Pentanediol2016

    • Author(s)
      Ayumi Imayoshi, Masahiro Yamanaka, Makoto Sato, Keisuke Yoshida, Takumi Furuta, Yoshihiro Ueda and Takeo Kawabata
    • Journal Title

      Advanced Synthesis and Catalysis

      Volume: - Issue: 8 Pages: 1337-1344

    • DOI

      10.1002/adsc.201600010

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Design, synthesis and optical properties of unsymmetrical subphthalocyanine trimer connected by phloroglucinol via axial positions2016

    • Author(s)
      Mori, S.; Ogawa, N.; Tokunaga, E.; Tsuzuki, S.; Shibata, N.
    • Journal Title

      Dalton Trans.

      Volume: 45 Issue: 3 Pages: 908-912

    • DOI

      10.1039/c5dt04500b

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis, ion recognition ability, and metal-assisted aggregation behavior of dinuclear metallohosts having a bis(saloph) macrocylic ligand2016

    • Author(s)
      Akine, S.; Utsuno, F.; Piao, S.; Orita, H.; Tsuzuki, S.; Nabeshima, T.
    • Journal Title

      Inorg. Chem.

      Volume: 55 Issue: 2 Pages: 810-821

    • DOI

      10.1021/acs.inorgchem.5b02288

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermal and Electrochemical Stability of Tetraglyme-Magnesium Bis(trifluoromethanesulfonyl)amide Complex: Electric Field Effect of Divalent Cation on Solvate Stability2016

    • Author(s)
      Shoshi Terada, Toshihiko Mandai, Soma Suzuki, Seiji Tsuzuki, Katsuya Watanabe, Yutaro Kamei, Kazuhide Ueno, Kaoru Dokko, Masayoshi Watanabe
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 120 Issue: 3 Pages: 1353-1365

    • DOI

      10.1021/acs.jpcc.5b09779

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Effects of non-equimolar lithium salt glyme solvate ionic liquid on the control of interfacial degradation in lithium secondary batteries2016

    • Author(s)
      S. Seki他
    • Journal Title

      RSC Advances

      Volume: 6 Issue: 39 Pages: 33043-33047

    • DOI

      10.1039/c6ra04404b

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Origin of stereocontorol in guanidine-bisurea bifunctional organocatalyst that promotes α-hydroxyaltion of tetralone-derived β-ketoesters: Asymmetric synthesis of β- or γ-substituted tetralone derivatives via organocatalytic oxidative kinetic resolution2015

    • Author(s)
      Minami Odagi, Kota Furukori, Yoshiharu Yamamoto, Makoto Sato, Keisuke Iida, Masahiro Yamanaka and Kazuo Nagasawa
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 137 Issue: 5 Pages: 1909-1915

    • DOI

      10.1021/ja511149y

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Origin of High E-Selectivity in 4-Pyrrolidinopyridine-Catalyzed Tetrasubstituted α,α’-Alkenediol: A Computational and Experimental Study2015

    • Author(s)
      Yamanaka, M.; Yoshida, U.; Sato, M.; Shigeta, T.; Yoshida, K.; Furuta, T.; Kawabata, T.
    • Journal Title

      J. Org. Chem.

      Volume: 80 Issue: 6 Pages: 3075-3082

    • DOI

      10.1021/jo5029453

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Development of Guanidine-Bisurea Bifunctional Organocatalysts with a Chiral Pyrrolidine Moiety and Application to α-Hydroxylation of Tetralone-Derived β-Keto Esters2015

    • Author(s)
      Odagi, M.; Takayama, K.; Sato, M.; Yamanaka, M.; Nagasawa, K.
    • Journal Title

      Molecules

      Volume: 20 Issue: 7 Pages: 12590-12598

    • DOI

      10.3390/molecules200712590

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] "Entropy-Driven 1,2-Type Friedel-Crafts Reaction of Phenols with N-tert-Butoxycarbonyl Aldimines2015

    • Author(s)
      Kato, M.; Hirao, S.; Nakano, K.; Sato, M.; Yamanaka, M.; Sohtome, Y.; Nagasawa, K.
    • Journal Title

      Chem. Eur. J.

      Volume: 21 Issue: 51 Pages: 18606-18612

    • DOI

      10.1002/chem.201503280

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Pentaglyme-K Salt Binary Mixtures: Phase Behavior, Solvate Structures, and Physicochemical Properties2015

    • Author(s)
      Toshihiko Mandai, Seiji Tsuzuki, Kazuhide Ueno, Kaoru Dokko, and Masayoshi Watanabe
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 17 Issue: 4 Pages: 2838-2849

    • DOI

      10.1039/c4cp05017g

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of Ionic Size on Solvate Stability of Glyme-Based Solvate Ionic Liquids2015

    • Author(s)
      Toshihiko Mandai, Kazuki Yoshida, Seiji Tsuzuki, Risa Nozawa, Hyuma Masu, Kazuhide Ueno, Kaoru Dokko, and Masayoshi Watanabe
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 119 Issue: 4 Pages: 1523-1534

    • DOI

      10.1021/jp508100s

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Li+ solvation in glyme-Li salt solvate ionic liquids2015

    • Author(s)
      Kazuhide Ueno, Ryoichi Tatara, Seiji Tsuzuki, Soshi Saito, Hiroyuki Doi, Kazuki Yoshida, Toshihiko Mandai, Masaru Matsugami, Yasuhiro Umebayashi, Kaoru Dokko, Masayoshi Watanabe
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 17 Issue: 12 Pages: 8248-8257

    • DOI

      10.1039/c4cp05943c

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Simulation of metal-organic framework self-assembly2015

    • Author(s)
      Yoneya, M.; Tsuzuki, S.; Aoyagi, M.
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 17 Issue: 14 Pages: 8649-8652

    • DOI

      10.1039/c5cp00379b

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ester-Linked Alkyl Chain Effect on 2D Structures of Isobutenyl Compounds: Scanning Tunneling Microscopic Study2015

    • Author(s)
      Kikkawa, Y.; Ishitsuka, M.; Omori, K.; Kashiwada, A.; Tsuzuki, S.; Hiratani, K.
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 88 Issue: 6 Pages: 834-842

    • DOI

      10.1246/bcsj.20150018

    • NAID

      130005075678

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Reinforcement of guest selectivity through the self-assembly of host molecules: selective recognition of lithium ions by dimerizable tricarboxylic acids2015

    • Author(s)
      Minodani, S.; Owaki, M.; Sano, S.; Tsuzuki, S.; Yamanaka, M.
    • Journal Title

      Chem. Commun.

      Volume: 51 Issue: 65 Pages: 12920-12923

    • DOI

      10.1039/c5cc05227k

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photo-Fries rearrangement of phenyl salicylate studied by Two-dimensional Infrared spectroscopy2015

    • Author(s)
      Shinzawa, H.; Matsumoto, Y.; Tsuzuki, S.; Shimoi, Y.; Suda, H.
    • Journal Title

      Vibrational Spectroscopy

      Volume: 81 Pages: 131-135

    • DOI

      10.1016/j.vibspec.2015.11.001

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 分子軌道法を使った分子間力の解析2015

    • Author(s)
      都築誠二
    • Journal Title

      化学と教育

      Volume: 63 Pages: 376-379

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Double C(sp3)-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles2014

    • Author(s)
      Mori, K.; Kurihara, K.; Yabe, S.; Yamanaka, M.; Akiyama, T.
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 136 Issue: 10 Pages: 3744-3747

    • DOI

      10.1021/ja412706d

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Trinuclear Zn3(OAc)4-3,3’-bis(aminoimino)binaphthoxide Complex for Highly Efficient Catalytic Asymmetric Iodolactonization2014

    • Author(s)
      Arai, T.; Sugiyama, N.; Masu, H.; Kado, S.; Yamanaka, M.
    • Journal Title

      Chem. Comm.

      Volume: 50 Issue: 61 Pages: 8287-8290

    • DOI

      10.1039/c4cc02415j

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Chiral Phosphoric-Acid-Catalyzed Transfer Hydrogenation of Ethyl Ketimine Derivatives by Using Benzothiazoline2014

    • Author(s)
      Saito, K.; Horiguchi, K.; Shibata, Y.; Yamanaka, M.; Akiyama, T.
    • Journal Title

      Chem. Eur. J.

      Volume: 20 Issue: 25 Pages: 7616-7620

    • DOI

      10.1002/chem.201402763

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Studies on Mechanisms and Origins of Stereocontrol in Chiral Phosphoric Acid Catalyzed Asymmetric Reactions2014

    • Author(s)
      Yamanaka, M.; Shibata, Y.
    • Journal Title

      Journal of Synthetic Organic Chemistry, Japan

      Volume: 72 Issue: 5 Pages: 580-595

    • DOI

      10.5059/yukigoseikyokaishi.72.580

    • NAID

      130004548608

    • ISSN
      0037-9980, 1883-6526
    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] DFT Studies of Mechanism and Origin of Stereoselectivity of Palladium-Catalyzed Cyclotrimerization Reactions Affording syn-Tris(norborneno)benzenes2014

    • Author(s)
      Yamanaka, M.; Morishima, M.; Shibata, Y.; Higashibayashi, S.; Sakurai, H.
    • Journal Title

      Organometallics

      Volume: 33 Issue: 12 Pages: 3060-3068

    • DOI

      10.1021/om500322b

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Asymmetric Michael Addition of β-Ketoesters to Enones Catalyzed by the Lithium Salt of a Primary β-Amino Acid2014

    • Author(s)
      Yoshida, M.; Kubara, A.; Nagasawa, Y.; Hara, S.; Yamanaka, M.
    • Journal Title

      Asian J. Org. Chem.

      Volume: 4 Issue: 4 Pages: 523-529

    • DOI

      10.1002/ajoc.201400024

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Secondary Stereocontrolling Interactions in Chiral Brønsted Acid catalysis: Study of a Petasis-Ferrier-Type Rearrangement Catalyzed by Chiral Phosphoric Acids2014

    • Author(s)
      鹿又喬平、戸田泰徳、柴田幸大、山中正浩、都築誠二、Ilya Gridnev、寺田眞浩
    • Journal Title

      Chemical Science

      Volume: 5 Issue: 9 Pages: 3515-3523

    • DOI

      10.1039/c4sc00611a

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Studies on the C/O-regioselectivity in Electrophilic Fluoromethylations of β-Ketoesters based on Thermodynamics by Ab initio Calculations2014

    • Author(s)
      Yang, Y.-D.; Wang, X.; Tsuzuki, S.; Tokunaga, E.; Shibata, N.
    • Journal Title

      Bull. Korean Chem. Soc.

      Volume: 35 Issue: 6 Pages: 1851-1854

    • DOI

      10.5012/bkcs.2014.35.6.1851

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Imidazolium Salt-Catalyzed Friedel-Crafts-Type Conjugate Addition via Cation-π Interaction of Imidazolium Cation with Indole: Analysis by High Level ab Initio Calculations2014

    • Author(s)
      Narumi, T.; Tsuzuki, S.; Tamamura, H.
    • Journal Title

      Asian J. Org. Chem.

      Volume: 4 Issue: 4 Pages: 497-503

    • DOI

      10.1002/ajoc.201400026

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Theoretical and Experimental Study of the Effects of Silyl Substituents in Enantioselective Reactions Catalyzed by Diphenylprolinol Silyl Ether2014

    • Author(s)
      Hayashi, Y.; Okamura, D.; Yamazaki, T.; Ameda, Y.; Gotoh, H.; Tsuzuki, S.; Uchimaru, T. Seebach, D
    • Journal Title

      Chem. Eur. J

      Volume: 20 Issue: 51 Pages: 17077-17088

    • DOI

      10.1002/chem.201403514

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] ESR Study of Singlet Oxygen Generation and Its Behavior during the Photo-oxidation of P3HT in Solution2014

    • Author(s)
      Chen, L.; Yamane, S.; Mizukado, J.; Suzuki, Y.; Kutsuna, S.; Uchimaru, T.; Suda, H.
    • Journal Title

      Chem. Phys. Lett.

      Volume: 624 Pages: 87-92

    • DOI

      10.1016/j.cplett.2015.02.019

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] ハロゲン結合の引力の原因と方向性2014

    • Author(s)
      都築誠二、内丸忠文
    • Journal Title

      J. Comput. Chem. Jpn.

      Volume: 13 Pages: 328-329

    • NAID

      130004725494

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence2013

    • Author(s)
      Mori, K.; Ichikawa, Y.; Kobayashi, M.; Shibata, Y.; Yamanaka, M.; Akiyama, T.
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 135 Issue: 10 Pages: 3964-3970

    • DOI

      10.1021/ja311902f

    • Related Report
      2013 Annual Research Report 2012 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Chiral Phosphoric Acid Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines2013

    • Author(s)
      Saito, K.; Shibata, Y.; Yamanaka, M.; Akiyama, T.
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 135 Issue: 32 Pages: 11740-11743

    • DOI

      10.1021/ja406004q

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical Study on the Regioselectivity of Baeyer-Villiger Reaction of α-Me-, -F-, -CF3-Cyclohexanones2013

    • Author(s)
      Itoh, Y.; Yamanaka, M.; Mikami, K.
    • Journal Title

      J. Org. Chem.

      Volume: 78 Issue: 1 Pages: 146-153

    • DOI

      10.1021/jo302151r

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] DFT Study of Mechanism and Origin of Enantioselectivity in Chiral BINOL-Phosphoric Acid Catalyzed Transfer Hydrogenation of Ketimine and α-Imino Ester Using Benzothiazoline2013

    • Author(s)
      Shibata, Y.; Yamanaka, M.
    • Journal Title

      J. Org. Chem.

      Volume: 78 Issue: 8 Pages: 3731-3736

    • DOI

      10.1021/jo4002195

    • Related Report
      2013 Annual Research Report 2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Investigation of the Carboxylate Position during the Acylation Reaction Catalyzed by Biaryl DMAP Derivatives with an Internal Carboxylate2013

    • Author(s)
      R. Nishino, T. Furuta, K. Kan, M. Sato, M. Yamanaka, T. Sasamori, N. Tokitoh, T. Kawabata
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 52 Issue: 25 Pages: 6445-6449

    • DOI

      10.1002/anie.201300665

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Mechanistic study of asymmetric Michael addition of malonates to enones catalyzed by a primary amino acid lithium salt2013

    • Author(s)
      Yoshida, M.; Nagasawa, Y.; Kubara, A.; Hara, S.; Yamanaka, M.
    • Journal Title

      Tetrahedron

      Volume: 69 Issue: 47 Pages: 10003-10008

    • DOI

      10.1016/j.tet.2013.09.066

    • NAID

      120005496498

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Prediction of suitable catalyst by 1H NMR: asymmetric synthesis of multisubstituted biaryls by chiral phosphoric acid catalyzed asymmetric bromination2013

    • Author(s)
      Mori, K.; Ichikawa, Y.; Kobayashi, M.; Shibata, Y.; Yamanaka, M.; Akiyama, T.
    • Journal Title

      Chem. Sci.

      Volume: 4 Issue: 11 Pages: 4235-4239

    • DOI

      10.1039/c3sc52142g

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] CCSD(T) Level Interaction Energy for Halogen Bond between Pyridine and Substituted Iodobenzenes: Origin and Additivity of Substituent Effects2013

    • Author(s)
      Tsuzuki, S.; Uchimaru, T.; Wakisaka, A.; Ono, T.; Sonoda, T.
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 15 Issue: 16 Pages: 6088-6096

    • DOI

      10.1039/c3cp43693d

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Linkage Control between Molecular and Supramolecular Chirality in 21-Helical Hydrogen-bonded Networks Using Achiral Components2013

    • Author(s)
      Sasaki, T.; Hisaki, I.; Miyano, T.; Tohnai, N.; Morimoto, K.; Sato, H.; Tuzuki, S.; Miyata, M.
    • Journal Title

      Nature Communications

      Volume: 14 Issue: 1 Pages: 1787-1787

    • DOI

      10.1038/ncomms2756

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Origin of Attraction in Chalgogen-Nitrogen Interaction of 1,2,5-Chalcogenadiazole Dimers2013

    • Author(s)
      Tsuzuki, S.; Sato, N.
    • Journal Title

      J. Phys. Chem. B

      Volume: 117 Issue: 22 Pages: 6849-6855

    • DOI

      10.1021/jp403200j

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Tetraalkylammonium-Templated Stereoselective Norrish-Yang Cyclization2013

    • Author(s)
      Yamada, S.; Iwaoka, A.; Fujita, Y.; Tsuzuki, S.
    • Journal Title

      Org. Lett.

      Volume: 15 Issue: 23 Pages: 5994-5997

    • DOI

      10.1021/ol4028732

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Selective o-Difluoromethylation of 1,3-Diones by Bromodifluoromethylating Reagents2013

    • Author(s)
      G. Liu, X. Wang, X.-H. Xu, X. Lu, E. Tokunaga, S. Tsuzuki, N. Shibata
    • Journal Title

      Org. Lett.

      Volume: 15 Issue: 5 Pages: 1044-1047

    • DOI

      10.1021/ol4000313

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Encapsulation-Induced Remarkable Stability of Hydrogen-Bonded Heterocapsule2013

    • Author(s)
      K. Ichihara, H. Kawai, Y. Togari, E. Kikuta, H. Kitagawa, S. Tsuzuki, K. Yoza, M. Yamanaka, K. Kobayashi
    • Journal Title

      Chem. Eur. J

      Volume: 19 Issue: 11 Pages: 3685-3692

    • DOI

      10.1002/chem.201203937

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Kinetic Resolution in Chiral Brønsted Acid Catalyzed Aldol Reaction : Enantioselective Robinson-type Annulation Reaction2012

    • Author(s)
      Yamanaka, M.; Hoshino, M.; Katoh, T.; Mori, K.; Akiyama, T
    • Journal Title

      Eur. J. Org. Chem

      Volume: 2012 Issue: 24 Pages: 4508-4514

    • DOI

      10.1002/ejoc.201200338

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Chiral Zn(II)-Bisamidine Complex as a Lewis-Broslash;nsted Combined Acid Catalyst: Application to Asymmetric Mukaiyama Aldol Reactions of α-Ketoesters2012

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

      Molecules

      Volume: 17 Issue: 8 Pages: 9010-9022

    • DOI

      10.3390/molecules17089010

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Organocatalytic 1,4-Addition Reaction of α,β-γ,δ-Diunsaturated Aldehyde versus 1,6-Addition Reaction2012

    • Author(s)
      Y. Hayashi, D. Okamura, S. Umemiya, T. Uchimaru
    • Journal Title

      ChemCatChem

      Volume: 7 Issue: 7 Pages: 959-962

    • DOI

      10.1002/cctc.201200161

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Magnitude of CH/O Interactions between Carbohydrate and Water2012

    • Author(s)
      Tsuzuki, S.
    • Journal Title

      Theor. Chem. Acc.

      Volume: 131 Issue: 3 Pages: 1192-1192

    • DOI

      10.1007/s00214-012-1192-0

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Preference of the monodentate contact in the CH/pi interaction between an alkyl group and a single phenyl ring: Stable structures of benzene-ethane clusters2012

    • Author(s)
      A. Fujii 他
    • Journal Title

      Chemical Physics Letters

      Volume: 537 Pages: 11-15

    • DOI

      10.1016/j.cplett.2012.04.005

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Interactions Between Dehydrobenzo [12] annulene (DBA) and Gas Molecules: Do the Preorganized Acetylenes Work Cooperatively?2012

    • Author(s)
      Ichiro Hisaki, Daisuke Yasumiya, Hajime Shigemitsu, Seiji Tsuzuki, Norimitsu Tohnai, Mikiji Miyata
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 14 Issue: 40 Pages: 13918-13921

    • DOI

      10.1039/c2cp43091f

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Halogen Bond Effect on Bundling of Hydrogen Bonded 2-Fold Helical Columns2012

    • Author(s)
      Toshiyuki Sasaki, Ichiro Hisaki, Seiji Tsuzuki, Norimitsu Tohnai and Mikiji Miyata
    • Journal Title

      CrystEngComm

      Volume: 14 Issue: 18 Pages: 5749-5752

    • DOI

      10.1039/c2ce26081f

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Crystal Structure of Quinine : Unignorable Affects of Vinyl and Methoxy Groups on Molecular Assemblies of Cinchona Alkaloids2012

    • Author(s)
      Ichiro Hisaki, Eri Hiraishi, Toshiyuki Sasaki, Hideo Orita, Seiji Tsuzuki, Norimitsu Tohnai, and Mikiji Miyata
    • Journal Title

      Chem. Asian J

      Volume: 7 Issue: 11 Pages: 2607-2614

    • DOI

      10.1002/asia.201200566

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Analysis of Weak Intermolecular Interactions by <i>ab initio</i> Molecular Orbital Calculations2012

    • Author(s)
      Tsuzuki, S.
    • Journal Title

      Journal of Synthetic Organic Chemistry, Japan

      Volume: 70 Issue: 8 Pages: 831-841

    • DOI

      10.5059/yukigoseikyokaishi.70.831

    • NAID

      130002142935

    • ISSN
      0037-9980, 1883-6526
    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] CH/π interactions2012

    • Author(s)
      Tsuzuki, S.
    • Journal Title

      Annu. Rep. Prog. Chem., Sect. C: Phys. Chem.

      Volume: 108 Pages: 69-95

    • DOI

      10.1039/c2pc90003c

    • Related Report
      2012 Annual Research Report
  • [Journal Article] Efficient Difluoromethylation of sp3 Carbon Nucleophiles by Bromodifluoromethylation Reagents with Organic Bases2012

    • Author(s)
      G.-K. Liu
    • Journal Title

      ChemistryOpen.

      Volume: 1 Issue: 5 Pages: 227-231

    • DOI

      10.1002/open.201200033

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Magnitude and Origin of Attraction and Directionality of Halogen Bonds of C_6F_5X and C_6H_5X (X=I, Br, Cl and F) with Pyridine2012

    • Author(s)
      Tsuzuki, S.
    • Journal Title

      Cbem.A Eur.J.

      Volume: 18 Issue: 3 Pages: 951-960

    • DOI

      10.1002/chem.201102562

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] DFT Study of Chiral Phosphoric Acid Catalyzed Enantioselective Friedel-Crafts Reaction of Indole with Nitroalkene : Bifunctionality and Substituent Effect of Phosphoric Acid2011

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

      Chem.Asian.J.

      Volume: 6 Issue: 2 Pages: 510-516

    • DOI

      10.1002/asia.201000596

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Organocatalytic, Enantioselective Intramolecular [6+2] Cycloaddition Reaction for the Formation of Tricyclopentanoids and Insight on Its Mechanism from a Computational Study2011

    • Author(s)
      Uchimaru, T.
    • Journal Title

      J.Am.Chem.Soc.

      Volume: 133 Issue: 50 Pages: 20175-20185

    • DOI

      10.1021/ja108516b

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Presentation] 分子間相互作用の精密解析と材料設計2016

    • Author(s)
      都築誠二
    • Organizer
      第三回CUTEシンポジウム
    • Place of Presentation
      三重大学 (三重県津市)
    • Year and Date
      2016-03-28
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] グアニジン-ビスチオウレア触媒を用いた不斉Friedel-Crafts反応に関する理論的研究2016

    • Author(s)
      中野克洋、小田木陽、長澤和夫、山中正浩
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学 (京都府京田辺市)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] リン酸‐ボラン触媒によるα,β‐不飽和ケトンの不斉1,4‐還元反応の理論的研究2016

    • Author(s)
      山本絵莉、山中正浩
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学 (京都府京田辺市)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] カルボン酸-リン酸触媒を用いた不斉ヘテロDiels-Alder反応の理論的研究2016

    • Author(s)
      野田洋史、寺田眞浩、椴山儀恵、山中正浩
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学 (京都府京田辺市)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] カルコゲン結合の強さと引力の原因2016

    • Author(s)
      都築誠二、内丸忠文
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学 (京都府京田辺市)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] カルボン酸-リン酸触媒を用いた不斉ヘテロDiels-Alder反応の理論的研究2016

    • Author(s)
      野田洋史、椴山儀恵、寺田眞浩、山中正浩
    • Organizer
      「有機分子触媒による未来型分子変換」第6回公開シンポジウム
    • Place of Presentation
      大阪科学技術センター (大阪府大阪市)
    • Year and Date
      2016-01-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] リン酸‐ボラン触媒によるα,β‐不飽和ケトンの不斉1,4‐還元反応の理論的研究2016

    • Author(s)
      山本絵莉、山中正浩
    • Organizer
      「有機分子触媒による未来型分子変換」第6回公開シンポジウム
    • Place of Presentation
      大阪科学技術センター (大阪府大阪市)
    • Year and Date
      2016-01-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] P ‐スピロキラルイミノホスホラン触媒を用いたアズラクトンとプロピオル酸メチルのマイケル反応の理論的解析2016

    • Author(s)
      佐藤真、山中正浩
    • Organizer
      「有機分子触媒による未来型分子変換」第6回公開シンポジウム
    • Place of Presentation
      大阪科学技術センター (大阪府大阪市)
    • Year and Date
      2016-01-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] 電荷移動錯体の引力の原因:キノン類と芳香族分子の相互作用2016

    • Author(s)
      都築誠二
    • Organizer
      「有機分子触媒による未来型分子変換」第6回公開シンポジウム
    • Place of Presentation
      大阪科学技術センター (大阪府大阪市)
    • Year and Date
      2016-01-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] 光増感型アンモニウム触媒を用いる立体選択的Norrish-Yang反応2016

    • Author(s)
      大島有貴、山田眞二、都築誠二
    • Organizer
      「有機分子触媒による未来型分子変換」第6回公開シンポジウム
    • Place of Presentation
      大阪科学技術センター (大阪府大阪市)
    • Year and Date
      2016-01-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] Transition-state stabilization through multiple attractive non-covalent interactions in organocatalysis: A computational study2015

    • Author(s)
      Yamanaka, M.
    • Organizer
      PACIFICHEM 2015
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT study of chiral phosphoric acid catalyzed 1, 4-reduction of α,β-unsaturated ketones2015

    • Author(s)
      Yamamoto, E.; Yamanaka, M.
    • Organizer
      PACIFICHEM 2015
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on chiral bis-phosphoric acid catalyzed asymmetric Diels-Alder reaction2015

    • Author(s)
      Noda, H.; Yamanaka, M.
    • Organizer
      PACIFICHEM 2015
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 電荷分布の異方性が水素結合、ハロゲン結合の方向依存性に与える影響2015

    • Author(s)
      都築誠二、内丸忠文
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      新潟コンベンションセンター (新潟県新潟市)
    • Year and Date
      2015-11-30
    • Related Report
      2015 Annual Research Report
  • [Presentation] Na+, K+, Mg2+, Ca2+ グライム錯体の安定性:高精度ab initio分子軌道法を用いた解析2015

    • Author(s)
      都築誠二、森下徹也、篠田渉、関志朗、梅林泰宏、上野和英、万代俊彦、獨古薫、渡邉正義
    • Organizer
      第56回電池討論会
    • Place of Presentation
      愛知県産業労働センター ウインクあいち (愛知県名古屋市)
    • Year and Date
      2015-11-11
    • Related Report
      2015 Annual Research Report
  • [Presentation] 電荷移動錯体の引力の強さとその原因:キノン類やハロゲンのベンゼンとの分子間相互作用の解析2015

    • Author(s)
      都築 誠二、小野泰蔵
    • Organizer
      第24回有機結晶シンポジウム
    • Place of Presentation
      広島大学 (広島県広島市)
    • Year and Date
      2015-11-01
    • Related Report
      2015 Annual Research Report
  • [Presentation] グライムとアルカリ金属、アルカリ土類金属イオンの相互作用2015

    • Author(s)
      都築誠二、篠田渉、上野和英、万代俊彦、梅林泰宏、関志朗、獨古薫、渡邉正義
    • Organizer
      第6回イオン液体討論会
    • Place of Presentation
      同志社大学 (京都府京都市)
    • Year and Date
      2015-10-26
    • Related Report
      2015 Annual Research Report
  • [Presentation] リチウム溶媒和イオン液体の安定性にイオン間相互作用が与える影響2015

    • Author(s)
      都築誠二、篠田渉、上野和英、万代俊彦、梅林泰宏、関志朗、獨古薫、渡邉正義
    • Organizer
      第38回溶液化学シンポジウム
    • Place of Presentation
      高知市文化プラザ (高知県高知市)
    • Year and Date
      2015-10-21
    • Related Report
      2015 Annual Research Report
  • [Presentation] グアニジン-ビスチオウレア触媒を用いた不斉フリーデルクラフツ反応の理論的研究2015

    • Author(s)
      中野克洋、山中正浩、加藤賢、長澤和夫
    • Organizer
      第5回CSJ化学フェスタ
    • Place of Presentation
      タワー船堀 (東京都江戸川区)
    • Year and Date
      2015-10-13
    • Related Report
      2015 Annual Research Report
  • [Presentation] 有機分子触媒反応における立体制御機構に関する理論的研究2015

    • Author(s)
      山中正浩
    • Organizer
      第116回触媒討論会
    • Place of Presentation
      三重大学 (三重県津市)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 電荷移動錯体の引力の原因:ベンゼンとp-ベンゾキノンの分子間相互作用の解析2015

    • Author(s)
      都築 誠二、小野泰蔵
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学 (東京都目黒区)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] Why Stable Glyme-Li Complex Exists in Solvate Ionic Liquid?2015

    • Author(s)
      Tsuzuki, S.; Shinoda, W.; Ueno, K.; Mandai, T.; Seki, S.; Saito, S.; Doi, H.; Umebayashi, Y.; Dokko, K.; Watanabe, M.
    • Organizer
      34th International Conference on Solution Chemistry
    • Place of Presentation
      Bohemia Technical University (Prague, Czech Republic)
    • Year and Date
      2015-08-30
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Relationship between interionic interaction and transport properties of ionic liquids: Analysis by ab initio MO calculations and MD simulations2015

    • Author(s)
      Tsuzuki, S.
    • Organizer
      7th International Symposium on “Molecular Thermodynamics and Molecular Simulation
    • Place of Presentation
      Fukuoka University (Fukuoka city, Fukuoka)
    • Year and Date
      2015-08-04
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Analysis of chalcogen-chalcogen and halogen-halogen interactions in crystals by ab initio molecular orbital calculations2015

    • Author(s)
      Tsuzuki, S.; Higuchi, Y.; Sato, N.
    • Organizer
      22nd International Conference on the Chemistry of the Organic Solid State
    • Place of Presentation
      Niigata Convention Center (Niigata-shi, Niigata)
    • Year and Date
      2015-07-12
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Transition-State Stabilization through Multiple Hydrogen Bonds and Dispersion Interactions in Organocatalysis2015

    • Author(s)
      Yamanaka, M.
    • Organizer
      39th NAITO Conference
    • Place of Presentation
      Gateaux Kingdom SAPPORO (Sapporo-shi, Hokkaido)
    • Year and Date
      2015-07-06
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Origin of directionality of hydrogen bond and halogen bond: Effects of anisotropic charge distributions on atoms2015

    • Author(s)
      Tsuzuki, S.
    • Organizer
      ICQC 2015 Satellite Symposium in Kobe
    • Place of Presentation
      Kobe University (Kobe-shi, Hyougo)
    • Year and Date
      2015-06-09
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] キラルブレンステッド酸触媒による制御システムの理論的研究2015

    • Author(s)
      山中正浩
    • Organizer
      「有機分子触媒による未来型分子変換」第5回公開シンポジウム
    • Place of Presentation
      沖縄県市町村自治会館・自治会館ホール (沖縄県那覇市)
    • Year and Date
      2015-05-10
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] アニリン型酸-塩基触媒を用いた分子内アルドール反応の理論的解析2015

    • Author(s)
      佐藤真、山中正浩、馬場智明、古田巧、川端猛夫
    • Organizer
      「有機分子触媒による未来型分子変換」第5回公開シンポジウム
    • Place of Presentation
      沖縄県市町村自治会館・自治会館ホール (沖縄県那覇市)
    • Year and Date
      2015-05-10
    • Related Report
      2015 Annual Research Report
  • [Presentation] テトラアルキルアンモニウム塩を触媒とする 立体選択的 Norrish-Yang 反応2015

    • Author(s)
      大島有貴、山田眞二、都築誠二
    • Organizer
      「有機分子触媒による未来型分子変換」第5回公開シンポジウム
    • Place of Presentation
      沖縄県市町村自治会館・自治会館ホール (沖縄県那覇市)
    • Year and Date
      2015-05-10
    • Related Report
      2015 Annual Research Report
  • [Presentation] ルイス塩基の選択がハロゲン結合に与える影響2015

    • Author(s)
      都築 誠二、内丸 忠文
    • Organizer
      「有機分子触媒による未来型分子変換」第5回公開シンポジウム
    • Place of Presentation
      沖縄県市町村自治会館・自治会館ホール (沖縄県那覇市)
    • Year and Date
      2015-05-10
    • Related Report
      2015 Annual Research Report
  • [Presentation] 亜鉛ビスアミジナート触媒を用いたα-ケトエステルの不斉ヒドロホスホニル化反応における触媒活性種の探索2015

    • Author(s)
      市之瀬篤、山中正浩
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-28
    • Related Report
      2014 Annual Research Report
  • [Presentation] 二点水素結合を介した立体・会合制御を基盤とする超分子型不斉分子触媒の開発2015

    • Author(s)
      宍戸健人、山中正浩
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-28
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルAg(I)-ビスアミジン触媒を用いたインドールとα-置換-β-ニトロアクリレートの不斉Friedel-Craftsアルキル化反応の開発2015

    • Author(s)
      野本拓実、山中正浩
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-28
    • Related Report
      2014 Annual Research Report
  • [Presentation] Stereoselective Norrish-Yang Reaction of Aromatic Ketones Using Tetraalkylammonium Salts2015

    • Author(s)
      大島有貴、山田眞二、都築誠二
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-28
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたトリフルオロメチルN-Hケチミンの不斉移動水素化反応の理論的研究2015

    • Author(s)
      野田洋史、秋山隆彦、山中正浩
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] 複核亜鉛ビスアミジナート触媒によるα-ケトエステルの不斉アルキル化反応2015

    • Author(s)
      土岐将太郎、山中正浩
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたジヒドロベンゾジアゼピン誘導体の不斉水素移動型還元反応2015

    • Author(s)
      堀口耕作、山本絵莉、斉藤巧泰、山中正浩、秋山隆彦
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたベンゾチアゾリンによる1,5-ベンゾジアゼピンの不斉水素化反応の理論的研究2015

    • Author(s)
      山本絵莉、山中正浩、堀口耕作、斉藤巧泰、秋山隆彦
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-27
    • Related Report
      2014 Annual Research Report
  • [Presentation] Analysis of intermolecular interactions between tetrakis(methyltelluro)tetrathia- fulvalene molecules in crystal by ab initio molecular orbital calculations2015

    • Author(s)
      都築誠二、樋口芳樹、佐藤直樹
    • Organizer
      日本化学会第95回春季年会
    • Place of Presentation
      日大(千葉県船橋市)
    • Year and Date
      2015-03-26
    • Related Report
      2014 Annual Research Report
  • [Presentation] Origin of attraction and directionality of hydrogen bond and halogen bond: Analysis by ab initio MO calculations2015

    • Author(s)
      Seiji Tsuzuki
    • Organizer
      ICCMSE 2015
    • Place of Presentation
      メトロポリタンホテル(アテネ、ギリシア)
    • Year and Date
      2015-03-23
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Theoretical Study of Asymmertic Desymmetrization of 4-Nosylamino-1,7-heptanediol via 4PPY-Catalyzed Enantioselective Acylation2014

    • Author(s)
      Makoto Sato, Masahiro Yamanaka, Takeshi Shigeta, Takumi Huruta, Takeo Kawabata
    • Organizer
      第7回有機触媒シンポジウム兼第2回国際会議
    • Place of Presentation
      東大(東京都文京区)
    • Year and Date
      2014-11-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on the Mechanism of Stereoselectivity in Chiral Phosphorus Acid Catalyzed Asymmetric Hydrogenation of 1,5-Benzodiazepine Using Benzothiazoline2014

    • Author(s)
      Eri Yamamoto, Kousaku Horiguchi, Koudai Saito, Takahiko Akiyama, Masahiro Yamanaka
    • Organizer
      第7回有機触媒シンポジウム兼第2回国際会議
    • Place of Presentation
      東大(東京都文京区)
    • Year and Date
      2014-11-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on Chiral Phosphoric Acid Catalyzed Asymmetric Transfer Hydrogenation of Trifluoromethylated N-H Ketimine Using Benzothiazoline2014

    • Author(s)
      Hirofumi Noda, Takahiko Akiyama, Masahiro Yamanaka
    • Organizer
      第7回有機触媒シンポジウム兼第2回国際会議
    • Place of Presentation
      東大(東京都文京区)
    • Year and Date
      2014-11-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] Imidazolium Salt-Catalyzed Friedel-Crafts-Type Conjugate Addition via Cation-π Interaction of Imidazolium Cation with Indole: Analysis by High Level ab Initio Calculations2014

    • Author(s)
      鳴海哲夫、都築誠二、玉村啓和
    • Organizer
      第7回有機触媒シンポジウム兼第2回国際会議
    • Place of Presentation
      東大(東京都文京区)
    • Year and Date
      2014-11-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] アルカンとパーフルオロアルカンの相互作用:アルカンとパーフルオロアルカンの低い混和性の原因について2014

    • Author(s)
      都築 誠二、内丸 忠文、小野泰蔵
    • Organizer
      第37回溶液化学シンポジウム
    • Place of Presentation
      アバンセ(佐賀県佐賀市)
    • Year and Date
      2014-11-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] グアニジン-ウレア触媒を用いた速度論的光学分割による光学活性β-置換テトラロン誘導体の合成法の開発:(+)-Linoxepinの全合成2014

    • Author(s)
      小田木陽、古郡孝太、山本祥晴、佐藤真、山中正浩、長澤和夫
    • Organizer
      第106回有機合成シンポジウム
    • Place of Presentation
      早大(東京都新宿区)
    • Year and Date
      2014-11-07
    • Related Report
      2014 Annual Research Report
  • [Presentation] 複核亜鉛ビスアミジナート触媒によるα-ケトエステルの不斉アルキル化反応2014

    • Author(s)
      土岐将太郎、山中正浩
    • Organizer
      第106回有機合成シンポジウム
    • Place of Presentation
      早大(東京都新宿区)
    • Year and Date
      2014-11-06
    • Related Report
      2014 Annual Research Report
  • [Presentation] ab initio 分子軌道法を用いた分子間相互作用の精密解析2014

    • Author(s)
      都築誠二
    • Organizer
      日本コンピュータ化学会2014秋季年会
    • Place of Presentation
      日大(福島県郡山市)
    • Year and Date
      2014-10-18
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] ハロゲン結合の引力の原因と方向性2014

    • Author(s)
      都築 誠二、内丸 忠文
    • Organizer
      日本コンピュータ化学会2014秋季年会
    • Place of Presentation
      日大(福島県郡山市)
    • Year and Date
      2014-10-18
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルリン酸触媒の3,3’-位置換基による立体制御の解明:引力的相互作用と斥力的相互作用2014

    • Author(s)
      伊藤結、山中正浩
    • Organizer
      第4回CSJ化学フェスタ
    • Place of Presentation
      船堀タワーホール(東京都江戸川区)
    • Year and Date
      2014-10-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたベンゾチアゾリンによる1,5-ベンゾジアゼピンの不斉還元反応の理論的研究2014

    • Author(s)
      山本絵莉、山中正浩、秋山隆彦
    • Organizer
      第4回CSJ化学フェスタ
    • Place of Presentation
      船堀タワーホール(東京都江戸川区)
    • Year and Date
      2014-10-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] 基質認識型ピロリジノピリジン触媒による幾何異性選択的アシル化反応の理論的研究2014

    • Author(s)
      吉田うらら、山中正浩、川端猛夫
    • Organizer
      第4回CSJ化学フェスタ
    • Place of Presentation
      船堀タワーホール(東京都江戸川区)
    • Year and Date
      2014-10-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] オリゴチエアノアセン等の含硫黄芳香族分子の分子間相互作用:ab initio 分子軌道法による静電力、分散力、軌道間の相互作用の解析2014

    • Author(s)
      都築誠二、佐藤直樹
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学(広島県東広島市)
    • Year and Date
      2014-09-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルリン酸触媒反応における反応制御・立体制御機構の解明2014

    • Author(s)
      山中正浩
    • Organizer
      2014年有機反応機構研究会
    • Place of Presentation
      兵庫県民会館(兵庫県神戸市)
    • Year and Date
      2014-09-23
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 有機分子触媒ジフェニルプロリノールシリルエーテルを用いる不斉反応におけるケイ素原子上置換基の置換基効果:計算化学的解析と実験結果の比較検討2014

    • Author(s)
      内丸 忠文、都築 誠二、岡村大地、山崎達哉、飴田康人、五東弘昭、林雄二郎
    • Organizer
      化学反応経路探索のニューフロンティア2014
    • Place of Presentation
      広島大学(広島県東広島市)
    • Year and Date
      2014-09-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] Ab initio 分子軌道法による結晶中の p-ヨーダニルの分子間相互作用の解析2014

    • Author(s)
      都築誠二、佐藤直樹
    • Organizer
      第23回有機結晶シンポジウム
    • Place of Presentation
      東邦大学(千葉県船橋市)
    • Year and Date
      2014-09-16
    • Related Report
      2014 Annual Research Report
  • [Presentation] 材料・製造フォーラム、触媒創造の自動化を目指す分科会の概要2014

    • Author(s)
      浅川 真澄、阪東 恭子、清水 禎樹、山崎 眞一、内丸 忠文、羽部 浩、佐山 和弘、中村 功
    • Organizer
      北大-産総研合同シンポジウム
    • Place of Presentation
      北大(北海道札幌市)
    • Year and Date
      2014-08-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] Origin and Additivity of Substituent Effects on Halogen Bond between Pyridine and Substituted Iodobenzenes2014

    • Author(s)
      都築 誠二、内丸 忠文
    • Organizer
      Computational Science Workshop 2014
    • Place of Presentation
      つくば国際会議場(茨城県つくば市)
    • Year and Date
      2014-08-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] Effects of the Silyl Substituent of Diphenylprolinol Silyl Ether in the Organocatalyst-Mediated Asymmetric Reactions: Computational and Experimental Investigations2014

    • Author(s)
      内丸 忠文、都築 誠二、岡村大地、山崎達哉、飴田康人、五東弘昭、林雄二郎
    • Organizer
      Computational Science Workshop 2014
    • Place of Presentation
      つくば国際会議場(茨城県つくば市)
    • Year and Date
      2014-08-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] 複核亜鉛ビスアミジナート触媒によるα-ケトエステルの不斉アルキル化反応2014

    • Author(s)
      土岐将太郎、山中正浩
    • Organizer
      日本プロセス化学会2014サマーシンポジウム
    • Place of Presentation
      船堀タワーホール(東京都江戸川区)
    • Year and Date
      2014-07-31
    • Related Report
      2014 Annual Research Report
  • [Presentation] 二点水素結合に基づく超分子型不斉分子触媒の開発2014

    • Author(s)
      宍戸健人、山中正浩
    • Organizer
      日本プロセス化学会2014サマーシンポジウム
    • Place of Presentation
      船堀タワーホール(東京都江戸川区)
    • Year and Date
      2014-07-31
    • Related Report
      2014 Annual Research Report
  • [Presentation] 亜鉛ビスアミジナート触媒を用いたα-ケトエステルの不斉ヒドロホスホニル化反応2014

    • Author(s)
      市之瀬篤、海津渓介、山中正浩
    • Organizer
      日本プロセス化学会2014サマーシンポジウム
    • Place of Presentation
      船堀タワーホール(東京都江戸川区)
    • Year and Date
      2014-07-31
    • Related Report
      2014 Annual Research Report
  • [Presentation] 柔軟な骨格を持つ有機分子触媒を用いた触媒反応 の理論的解析2014

    • Author(s)
      佐藤真、山中正浩、長澤和夫、川端猛夫
    • Organizer
      分子活性化-有機分子触媒合同シンポジウム
    • Place of Presentation
      北大(北海道札幌市)
    • Year and Date
      2014-06-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルリン酸触媒によるアズラクトンとビニルエーテルの直接的不斉アルドール型反応の理論的研究2014

    • Author(s)
      長澤裕貴、柴田幸大、鹿又喬平、山中正浩、寺田眞浩
    • Organizer
      分子活性化-有機分子触媒合同シンポジウム
    • Place of Presentation
      北大(北海道札幌市)
    • Year and Date
      2014-06-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] キラルビスリン酸触媒を用いた不斉Diels-Alder反応の理論的研究2014

    • Author(s)
      野田洋史、舟山浩介、椴山儀恵、寺田眞浩
    • Organizer
      分子活性化-有機分子触媒合同シンポジウム
    • Place of Presentation
      北大(北海道札幌市)
    • Year and Date
      2014-06-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] テトラロン型β-ケトエステルα位の有機触媒的不斉酸化反応を基盤とするβ位及びγ位の速度論的光学分割2014

    • Author(s)
      古郡孝太、小田木陽、佐藤真、山中正浩、長澤和夫
    • Organizer
      分子活性化-有機分子触媒合同シンポジウム
    • Place of Presentation
      北大(北海道札幌市)
    • Year and Date
      2014-06-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] テトラアルキルアンモニウム塩をテンプレートとする Norrish-Yang 環化反応2014

    • Author(s)
      藤田結香、山田眞二、都築誠二
    • Organizer
      分子活性化-有機分子触媒合同シンポジウム
    • Place of Presentation
      北大(北海道札幌市)
    • Year and Date
      2014-06-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] ハロゲン原子とアニオンのハロゲン結合: ab initio 分子軌道法による 相互作用エネルギーの解析2014

    • Author(s)
      都築 誠二、内丸 忠文
    • Organizer
      分子活性化-有機分子触媒合同シンポジウム
    • Place of Presentation
      北大(北海道札幌市)
    • Year and Date
      2014-06-20
    • Related Report
      2014 Annual Research Report
  • [Presentation] Origin of attraction and directionality of intermolecular interactions between organic molecules2014

    • Author(s)
      Seiji Tsuzuki
    • Organizer
      Joint Congress of Asian Crystallization Technology Symposium-2014 and 11th International Workshop of Crystal Growth of Organic Materials
    • Place of Presentation
      奈良春日野国際フォーラム(奈良県奈良市)
    • Year and Date
      2014-06-19
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] ヒドリド転位型分子内redox系の連続利用による二重 C(sp3)-H 結合官能基化反応の開発2014

    • Author(s)
      森啓二、栗原一樹、矢部真之介、山中正浩、秋山隆彦
    • Organizer
      第105回有機合成シンポジウム
    • Place of Presentation
      東工大(東京都目黒区)
    • Year and Date
      2014-06-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] ジフェニルプロリノールシリルエーテルを用いた不斉四級炭素を有するシクロプロパン体の合成2013

    • Author(s)
      内丸忠文
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-25
    • Related Report
      2012 Annual Research Report
  • [Presentation] 二核亜鉛ビスアミジナート触媒を用いたα-ケトエステルの不斉ヒドロホスホニル化反応2013

    • Author(s)
      山中正浩
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-24
    • Related Report
      2012 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いた分子内redox 反応によるテトラヒドロキノリン誘導体合成の理論的研究2013

    • Author(s)
      山中正浩
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-24
    • Related Report
      2012 Annual Research Report
  • [Presentation] ハロゲンとアニオンのハロゲン結合:ab initio 分子軌道法による相互作用エネルギーの解析2013

    • Author(s)
      都築誠二
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-24
    • Related Report
      2012 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたケトイミンの不斉水素化反応における立体制御機構:ベンゾチアゾリンとHantzsch エステルの比較2013

    • Author(s)
      山中正浩
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-23
    • Related Report
      2012 Annual Research Report
  • [Presentation] 4-ピロリジンピリジン触媒による直鎖ジオールの化学選択的アシル化反応の理論的解析2013

    • Author(s)
      山中正浩
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-23
    • Related Report
      2012 Annual Research Report
  • [Presentation] キラルZn(II)-ビスアミジン触媒を用いたα-ケトエステルの不斉向山アルドール反応の開発2013

    • Author(s)
      山中正浩
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-23
    • Related Report
      2012 Annual Research Report
  • [Presentation] キラルAg(I)-ビスアミジン触媒を用いたインドールとニトロアルケンの不斉Friedel-Craftsアルキル化反応の開発2013

    • Author(s)
      山中正浩
    • Organizer
      日本化学会 第93回春季年会
    • Place of Presentation
      立命館大
    • Year and Date
      2013-03-23
    • Related Report
      2012 Annual Research Report
  • [Presentation] ハロゲン結合の方向依存性:ab initio 分子軌道法による解析2013

    • Author(s)
      都築誠二
    • Organizer
      自己組織化ナノ材料の過去、現在、未来を考えるシンポジウム
    • Place of Presentation
      産業技術総合研究所
    • Year and Date
      2013-03-01
    • Related Report
      2012 Annual Research Report
  • [Presentation] Theoretical Studies on Chiral Phosphoric Acid-catalyzed Transfer Hydrogenation of Ketimine Using Benzothiazoline2012

    • Author(s)
      Yamanaka, M.
    • Organizer
      1st. Japan-USA Organocatalytic Symposium
    • Place of Presentation
      Waikiki Prince Hotel, Hawaii, USA
    • Year and Date
      2012-12-17
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Theoretical Study on Chiral Magnesium Phosphate-Catalyzed Phosphination of Imine2012

    • Author(s)
      Yamanaka, M.
    • Organizer
      1st. Japan-USA Organocatalytic Symposium
    • Place of Presentation
      Waikiki Prince Hotel, Hawaii, USA
    • Year and Date
      2012-12-17
    • Related Report
      2012 Annual Research Report
  • [Presentation] Theoretical Study on 4-Pyrrolidinopyridine Catalyzed Chemoselective Monoacylation of Linear Diols2012

    • Author(s)
      Yamanaka, M.
    • Organizer
      1st. Japan-USA Organocatalytic Symposium
    • Place of Presentation
      Waikiki Prince Hotel, Hawaii, USA
    • Year and Date
      2012-12-17
    • Related Report
      2012 Annual Research Report
  • [Presentation] ab initio 分子軌道法によるカルコゲン…N 相互作用の解析:1,2,5-カルコゲナジアゾールの相互作用2012

    • Author(s)
      都築誠二
    • Organizer
      第21回有機結晶シンポジウム
    • Place of Presentation
      東京工業大学
    • Year and Date
      2012-11-10
    • Related Report
      2012 Annual Research Report
  • [Presentation] ベンゾチアゾリンを用いたリン酸触媒によるケトイミンの不斉還元反応の理論的研究2012

    • Author(s)
      山中正浩
    • Organizer
      第5回有機触媒シンポジウム
    • Place of Presentation
      学習院大学
    • Year and Date
      2012-10-27
    • Related Report
      2012 Annual Research Report
  • [Presentation] 柔軟な骨格を持つ有機分子触媒による触媒反応の理論的解析2012

    • Author(s)
      山中正浩
    • Organizer
      第5回有機触媒シンポジウム
    • Place of Presentation
      学習院大学
    • Year and Date
      2012-10-27
    • Related Report
      2012 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いた分子内redox反応によるテトラヒドロキノリン誘導体合成の理論的研究2012

    • Author(s)
      山中正浩
    • Organizer
      第5回有機触媒シンポジウム
    • Place of Presentation
      学習院大学
    • Year and Date
      2012-10-27
    • Related Report
      2012 Annual Research Report
  • [Presentation] ハロゲン結合の強さと方向性:高精度 ab initio 分子軌道法による解析2012

    • Author(s)
      都築誠二
    • Organizer
      第5回有機触媒シンポジウム
    • Place of Presentation
      学習院大学
    • Year and Date
      2012-10-27
    • Related Report
      2012 Annual Research Report
  • [Presentation] 有機分子触媒を用いる不斉分子内[6 + 2]付加環化によるトリシクロペンタノイド骨格の合成-反応機構に関する計算化学的考察-2012

    • Author(s)
      内丸忠文
    • Organizer
      第5回有機触媒シンポジウム
    • Place of Presentation
      学習院大学
    • Year and Date
      2012-10-27
    • Related Report
      2012 Annual Research Report
  • [Presentation] 不斉分子触媒開発における理論計算と実験の相互連携2012

    • Author(s)
      山中正浩
    • Organizer
      2012青森地区講演会
    • Place of Presentation
      弘前大学
    • Year and Date
      2012-10-12
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 有機分子触媒を用いる不斉分子内[6 + 2]付加環化によるトリシクロペンタノイド骨格の合成-反応機構に関する計算化学的考察-2012

    • Author(s)
      内丸忠文
    • Organizer
      第23回基礎有機化学討論会
    • Place of Presentation
      京都テルサ
    • Year and Date
      2012-09-21
    • Related Report
      2012 Annual Research Report
  • [Presentation] ヨードベンゼンのハロゲン結合における置換基効果:高精度 ab initio 分子軌道法による解析2012

    • Author(s)
      都築誠二
    • Organizer
      第23回基礎有機化学討論会
    • Place of Presentation
      京都テルサ
    • Year and Date
      2012-09-19
    • Related Report
      2012 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたイミンの不斉移動水素化反応の理論的研究2012

    • Author(s)
      山中正浩
    • Organizer
      プロセス学会2012サマーシンポジウム
    • Place of Presentation
      京都テルサ
    • Year and Date
      2012-07-19
    • Related Report
      2012 Annual Research Report
  • [Presentation] Ag-ビスアミジン触媒を用いたインドールとニトロアルケンの不斉Friedel-Craftsアルキル化反応の開発2012

    • Author(s)
      山中正浩
    • Organizer
      プロセス学会2012サマーシンポジウム
    • Place of Presentation
      京都テルサ
    • Year and Date
      2012-07-19
    • Related Report
      2012 Annual Research Report
  • [Presentation] キラルブレンステッド酸触媒による制御システムの理論的研究2012

    • Author(s)
      山中正浩
    • Organizer
      「新学術領域(研究領域提案型)」第1回全体会議
    • Place of Presentation
      京都大学
    • Year and Date
      2012-06-08
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 有機触媒を用いたニトロメタンとα、β-γ、δ-不飽和アルデヒドの位置選択的不斉マイケル反応2012

    • Author(s)
      内丸忠文
    • Organizer
      第63回有機合成化学協会関東支部シンポジウム
    • Place of Presentation
      東京理科大学
    • Year and Date
      2012-05-19
    • Related Report
      2012 Annual Research Report
  • [Presentation] Development of Asymmetric Hydrophosphonylation of α-Ketoesters Catalyzed by Dinuclear Zn-Bisamidinate Complex2012

    • Author(s)
      Yamanaka, M.
    • Organizer
      Molecular Chirality Asia 2012
    • Place of Presentation
      Kyushu University
    • Year and Date
      2012-05-18
    • Related Report
      2012 Annual Research Report
  • [Presentation] Development of Cationic Metal-Bisamidine Catalyzed Asymmetric Mukaiyama Aldol Reaction of α-Ketoesters2012

    • Author(s)
      Yamanaka, M.
    • Organizer
      Molecular Chirality Asia 2012
    • Place of Presentation
      Kyushu University
    • Year and Date
      2012-05-18
    • Related Report
      2012 Annual Research Report
  • [Presentation] 高精度ab initio分子軌道法計算による弱い分子間相互作用の精密解析:水素結合、CH/π相互作用、ハロゲン結合の方向依存性2012

    • Author(s)
      都築誠二
    • Organizer
      次世代ナノ統合シミュレーションソフトウェアの研究開発、ナノ・ライフ公開シンポジウム
    • Place of Presentation
      ニチイ学館神戸ポートアイランドセンター
    • Year and Date
      2012-03-06
    • Related Report
      2011 Annual Research Report
  • [Presentation] ab initio分子軌道法による分子間相互作用の解析:ハロゲン結合、イオン液体の相互作用2012

    • Author(s)
      都築誠二
    • Organizer
      筑波大学数理物質科学研究科講演会
    • Place of Presentation
      筑波大学(招待講演)
    • Year and Date
      2012-02-28
    • Related Report
      2011 Annual Research Report
  • [Presentation] キラルブレンステッド酸触媒による制御システムの理論的研究2012

    • Author(s)
      山中正浩
    • Organizer
      「新学術領域(研究領域提案型)」第1回公開シンポジウム
    • Place of Presentation
      TKPガーデンシティ仙台(招待講演)
    • Year and Date
      2012-01-21
    • Related Report
      2011 Annual Research Report
  • [Presentation] 弱い分子間相互作用の方向依存性:ab initio計算による水素結合、CH/π相互作用、ハロゲン結合の比較2011

    • Author(s)
      都築誠二
    • Organizer
      第20回有機結晶シンポジウム
    • Place of Presentation
      富山大学
    • Year and Date
      2011-10-20
    • Related Report
      2011 Annual Research Report
  • [Presentation] 高精度ab initio分子軌道法によるハロゲン結合の解析:相互作用の強さ、方向依存性の水素結合との比較2011

    • Author(s)
      都築誠二
    • Organizer
      第4回分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2011-09-21
    • Related Report
      2011 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたジアゾアセテートとイミンのFriedel-Crafts反応に対する触媒活性に関する理論的研究2011

    • Author(s)
      山中正浩
    • Organizer
      第4回有機触媒シンポジウム
    • Place of Presentation
      東京理科大学神楽坂キャンパス
    • Year and Date
      2011-09-17
    • Related Report
      2011 Annual Research Report
  • [Presentation] Theoretical Study on Chiral Phosphoric Acid Catalyzed Aza-Darzens Reaction of Diazoacetate and Imine2011

    • Author(s)
      山中正浩
    • Organizer
      The 2^<nd> International Symposium on Process Chemistry
    • Place of Presentation
      国立京都国際会館
    • Year and Date
      2011-08-12
    • Related Report
      2011 Annual Research Report
  • [Presentation] キラルリン酸触媒を用いたジアゾアセテートとイミンにおけるAza-Darzens反応の理論的解析2011

    • Author(s)
      山中正浩
    • Organizer
      第61回有機合成化学協会関東支部シンポジウム(千葉大シンポジウム)
    • Place of Presentation
      千葉大学西千葉キャンパス
    • Year and Date
      2011-05-22
    • Related Report
      2011 Annual Research Report
  • [Presentation] The Origin of Enantioselectivity in Chiral Phosphoric Acid-Catalyzed Transfer Hydrogenation of Imines

    • Author(s)
      山中正浩
    • Organizer
      第1回国際会議(兼)第6回有機触媒シンポジウム
    • Place of Presentation
      大津プリンスホテル(大津)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Theoretical Study on Asymmetric Michael Addition of Malonate to Enone Catalyzed by Primary &#61538;-Amino Acid Lithium Salt

    • Author(s)
      長澤裕貴、山中正浩
    • Organizer
      第1回国際会議(兼)第6回有機触媒シンポジウム
    • Place of Presentation
      大津プリンスホテル(大津)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Origin and Additivity of Substituent Effects on Halogen Bond between Pyridine and Substituted Iodobenzenes

    • Author(s)
      都築誠二、内丸忠文
    • Organizer
      第1回国際会議(兼)第6回有機触媒シンポジウム
    • Place of Presentation
      大津プリンスホテル(大津)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Effects of the Silyl Substituent of Diphenylprolinol Silyl Ether in the Organocatalyst-Mediated Asymmetric Reactions: Computational and Experimental Investigations

    • Author(s)
      内丸忠文、都築誠二、林雄二郎
    • Organizer
      第1回国際会議(兼)第6回有機触媒シンポジウム
    • Place of Presentation
      大津プリンスホテル(大津)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Tetrabutylammonium Salts as Templates for Stereoselective Norrish Type II Reactions of 2-Benzyloxyacylbenzenes

    • Author(s)
      山田眞二、都築誠二
    • Organizer
      第1回国際会議(兼)第6回有機触媒シンポジウム
    • Place of Presentation
      大津プリンスホテル(大津)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Origin of attraction and directionality of nonbonding interactions of halogen atoms

    • Author(s)
      都築誠二
    • Organizer
      7th Molecular Quantum Mechanics
    • Place of Presentation
      ルガノ(スイス)
    • Related Report
      2013 Annual Research Report
  • [Presentation] First principle approach for studying intermolecular interactions

    • Author(s)
      都築誠二
    • Organizer
      6th APCTCC (Asian-Pacific Conference of Theoretical and Computational Chemistry)
    • Place of Presentation
      Gyeongju(韓国)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] ab initio 分子軌道法によるハロゲン/π相互作用の解析

    • Author(s)
      都築誠二、内丸忠文、脇坂昭弘、小野泰蔵、園田高明
    • Organizer
      第24回基礎有機化学討論会
    • Place of Presentation
      学習院大学(東京)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 有機分子触媒ジフェニルプロリノールシリルエーテルを用いる不斉反応におけるケイ素原子上置換基の置換基効果:計算化学的解析と実験結果の比較検討

    • Author(s)
      内丸忠文、都築誠二、岡村大地、山崎達哉、飴田康人、五東弘昭、林雄二郎
    • Organizer
      第24回基礎有機化学討論会
    • Place of Presentation
      学習院大学(東京)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 分子間の引力への軌道間相互作用の寄与:水素結合、カチオン/π相互作用、CH/π相互作用の解析

    • Author(s)
      都築誠二、内丸忠文
    • Organizer
      第7回分子科学討論会2013
    • Place of Presentation
      京都テルサ(京都)
    • Related Report
      2013 Annual Research Report
  • [Presentation] ab initio 分子軌道法による分子間相互作用の解析:フッ素化合物の相互作用とハロゲン結合

    • Author(s)
      都築誠二
    • Organizer
      第7回フッ素化学セミナー
    • Place of Presentation
      エポカルつくば(つくば)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] ハロゲン結合の引力の原因と方向依存性

    • Author(s)
      都築誠二
    • Organizer
      第36回フッ素化学討論会
    • Place of Presentation
      エポカルつくば(つくば)
    • Related Report
      2013 Annual Research Report
  • [Presentation] カチオンと溶媒の相互作用における軌道間相互作用の寄与

    • Author(s)
      都築誠二、内丸忠文
    • Organizer
      第36回溶液化学シンポジウム
    • Place of Presentation
      北海道大(札幌)
    • Related Report
      2013 Annual Research Report
  • [Presentation] キラルAg(I)-ビスアミジン触媒を用いた不斉Friedel-Crafts反応の開発

    • Author(s)
      滝田京子、山中正浩
    • Organizer
      第3回CSJ化学フェスタ
    • Place of Presentation
      タワーホール船堀(東京)
    • Related Report
      2013 Annual Research Report
  • [Presentation] ab initio 分子軌道法によるオリゴチエアノアセンの分子間相互作用の解析:S…S 接触による軌間相互作用の寄与について

    • Author(s)
      都築誠二
    • Organizer
      第22回有機結晶シンポジウム
    • Place of Presentation
      北海道大(札幌)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 二核亜鉛ビスアミジナート触媒によるα-ケトエステルの不斉ヒドロホスホニル化反応

    • Author(s)
      海津渓介、山中正浩
    • Organizer
      第104回有機合成シンポジウム
    • Place of Presentation
      早稲田大学国際会議場(東京)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 複核亜鉛ビスアミジナート触媒によるα-ケトエステルの不斉アルキル化反応

    • Author(s)
      土岐将太郎、山中正浩
    • Organizer
      第104回有機合成シンポジウム
    • Place of Presentation
      早稲田大学国際会議場(東京)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Multifunctional Bisamidine Ligand: Applications in Asymmetric Catalysis

    • Author(s)
      山中正浩
    • Organizer
      13th Tateshina Conference on Organic Chemistry
    • Place of Presentation
      蓼科フォーラム(長野)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] イオン液体とI2, I3-の相互作用

    • Author(s)
      都築誠二、内丸忠文
    • Organizer
      第4回イオン液体討論会
    • Place of Presentation
      慶応大(横浜)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Effects of the Silyl Substituent of Diphenylprolinol Silyl Ether in the Organocatalyst-Mediated Asymmetric Reactions: Computational and Experimental Investigations

    • Author(s)
      内丸忠文、都築誠二、林雄二郎
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      東大寺総合文化センター(奈良)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 含カルコゲン芳香族分子の分子間相互作用:ab initio 分子軌道法による S, Se, Te の相互作用の比較

    • Author(s)
      都築誠二
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 有機分子触媒ジフェニルプロリノールシリルエーテルを用いる不斉4級炭素を有するシクロプロパン合成:不斉識別メカニズムの解明に向けた計算化学的解析

    • Author(s)
      内丸忠文、林雄二郎
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] キラルリン酸触媒の反応制御・立体制御機構の解明

    • Author(s)
      山中正浩
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] グアニジン-ウレア触媒を用いたテトラロン型β-ケトエステルα位の不斉酸化反応を基盤とするβおよびγ位の速度論的光学分割法の開発

    • Author(s)
      小田木 陽、古郡孝太、佐藤 真、山中正浩、長澤和夫
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 分子内redox 反応におけるヒドリド転位の化学選択性に関する理論的研究

    • Author(s)
      矢部真之介、栗原一樹、森 啓二、秋山隆彦、山中正浩
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] キラル亜鉛ビスアミジン触媒による不斉向山アルドール反応における化学選択性

    • Author(s)
      岸 信孝、山中正浩
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 複核亜鉛ビスアミジナート触媒によるα-ケトエステルの不斉アルキル化反応

    • Author(s)
      土岐将太郎、山中正浩
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 二核亜鉛ビスアミジナート触媒を用いたα-ケトエステルの不斉ヒドロホスホニル化反応

    • Author(s)
      海津渓介、山中正浩
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] キラルテトラアミノホスホニウム塩を用いた高位置・高立体選択的1,6-付加反応に関する理論的研究

    • Author(s)
      坂田 健、山中正浩、吉岡 謙、浦口大輔、大井貴史
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Presentation] キラル銀ビスアミジン触媒を用いたインドールとニトロアルケンの不斉Friedel-Crafts アルキル化反応の開発

    • Author(s)
      滝田京子、山中正浩
    • Organizer
      第94日本化学会春季年会
    • Place of Presentation
      名古屋大(名古屋)
    • Related Report
      2013 Annual Research Report
  • [Book] 有機分子の分子間力: Ab initio 分子軌道法による分子間相互作用エネルギーの解析2015

    • Author(s)
      都築誠二
    • Total Pages
      286
    • Publisher
      東京大学出版会
    • Related Report
      2015 Annual Research Report

URL: 

Published: 2011-08-01   Modified: 2019-07-29  

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