Dr. HIRAO Hajime

Research Output

  1. 2019
  2. Published

    Copper‐Catalyzed Asymmetric Arylation of N‐Heteroaryl Aldimines: Elementary Step of a 1,4‐Insertion

    Wu, C., Qin, X., Moeljadi, A. M. P., Hirao, H. & Zhou, J. S., 25 Feb 2019, In : Angewandte Chemie. 131, 9, p. 2731-2735

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

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  3. Published

    Copper‐Catalyzed Asymmetric Arylation of N‐Heteroaryl Aldimines: Elementary Step of a 1,4‐Insertion

    Wu, C., Qin, X., Moeljadi, A. M. P., Hirao, H. & Zhou, J. S., 25 Feb 2019, In : Angewandte Chemie - International Edition. 58, 9, p. 2705-2709

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 2
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  4. Published

    Host–Guest Complexation Using Pillar[5]arene Crystals: Crystal-Structure Dependent Uptake, Release, and Molecular Dynamics of an Alkane Guest

    Ogoshi, T., Hamada, Y., Sueto, R., Sakata, Y., Akine, S., Moeljadi, A. M. P., Hirao, H. & 3 othersKakuta, T., Yamagishi, T. & Mizuno, M., 18 Feb 2019, In : Chemistry - A European Journal. 25, 10, p. 2497-2502

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

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  5. Published

    Applications of Computational Chemistry to Selected Problems of Transition-Metal Catalysis in Biological and Nonbiological Systems

    Hirao, H., 2019, Transition Metals in Coordination Environments: Computational Chemistry and Catalysis Viewpoints. Broclawik, E., Borowski, T. & Radoń, M. (eds.). Springer, p. 463-486 (Challenges and Advances in Computational Chemistry and Physics; vol. 29).

    Research output: Chapters, Conference Papers, Creative and Literary Works (RGC: 12, 32, 41, 45)12_Chapter in an edited book (Author)Not applicablepeer-review

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  6. Published

    Molecular weight fractionation by confinement of polymer in one-dimensional pillar[5]arene channels

    Ogoshi, T., Sueto, R., Yagyu, M., Kojima, R., Kakuta, T., Yamagishi, T., Doitomi, K. & 5 othersTummanapelli, A. K., Hirao, H., Sakata, Y., Akine, S. & Mizuno, M., 2019, In : Nature Communications. 10, 479.

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 4
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  7. 2018
  8. Published

    Ferrihydrite Particle Encapsulated within a Molecular Organic Cage

    Nihei, M., Ida, H., Nibe, T., Moeljadi, A. M. P., Trinh, Q. T., Hirao, H., Ishizaki, M. & 3 othersKurihara, M., Shiga, T. & Oshio, H., 19 Dec 2018, In : Journal of the American Chemical Society. 140, 50, p. 17753-17759

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 3
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  9. Published

    Facile Activation of Homoatomic σ Bonds in White Phosphorus and Diborane by a Diboraallene

    Lu, W., Xu, K., Li, Y., Hirao, H. & Kinjo, R., 26 Nov 2018, In : Angewandte Chemie - International Edition. 57, 48, p. 15691-15695

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 5
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  10. Published

    Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals

    Su, B., Ota, K., Xu, K., Hirao, H. & Kinjo, R., 26 Sep 2018, In : Journal of the American Chemical Society. 140, 38, p. 11921−11925

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 2
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  11. Published

    Revisiting the catalytic mechanism of Mo-Cu carbon monoxide dehydrogenase using QM/MM and DFT calculations

    Xu, K. & Hirao, H., 28 Jul 2018, In : Physical Chemistry Chemical Physics. 20, 28, p. 18938-18948

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 5
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  12. Published

    Palladium-Catalyzed para-Selective Alkylation of Electron-Deficient Arenes

    Jiao, Z., Lim, L. H., Hirao, H. & Zhou, J. S., 22 May 2018, In : Angewandte Chemie - International Edition. 57, 21, p. 6294-6298

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 10
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  13. Published

    Analytical Hessian Fitting Schemes for Efficient Determination of Force-Constant Parameters in Molecular Mechanics

    Wang, R., Ozhgibesov, M. & Hirao, H., 5 Mar 2018, In : Journal of Computational Chemistry. 39, 6, p. 307-318

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 1
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  14. Published

    Separation of Linear and Branched Alkanes Using Host–Guest Complexation of Cyclic and Branched Alkane Vapors by Crystal State Pillar[6]arene

    Ogoshi, T., Saito, K., Sueto, R., Kojima, R., Hamada, Y., Akine, S., Moeljadi, A. M. P. & 3 othersHirao, H., Kakuta, T. & Yamagishi, T., 5 Feb 2018, In : Angewandte Chemie - International Edition. 57, 6, p. 1592-1595

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 21
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  15. Published

    How Does CO2 React with Styrene Oxide in Co-MOF-74 and Mg-MOF-74? Catalytic Mechanisms Proposed by QM/MM Calculations

    Xu, K., Moeljadi, A. M. P., Mai, B. K. & Hirao, H., 11 Jan 2018, In : Journal of Physical Chemistry C. 122, 1, p. 503-514

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 4
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  16. 2017
  17. The Dual Roles of Phenylenediamines: Using their Voltammetric Behavior to Measure the Hydrogen Donor and Acceptor Abilities of Alcohols in Acetonitrile

    Tessensohn, M. E., Lim, S., Miechie, Koh, Y. R., Hirao, H. & Webster, R. D., 15 Dec 2017, In : ChemPhysChem. 18, 24, p. 3562-3569

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 1
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  18. Published

    Infrared Investigation of Dynamic Behavior of Brønsted Acid Sites on Zeolites at High Temperatures

    Osuga, R., Yokoi, T., Doitomi, K., Hirao, H. & Kondo, J. N., 16 Nov 2017, In : Journal of Physical Chemistry C. 121, 45, p. 25411-25420

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 8
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  19. Published

    Acceptorless and Base-free Dehydrogenation of Cyanohydrin with (η6-Arene)halide(Bidentate Phosphine)ruthenium(II) Complex

    Kim, K., Moeljadi, A. M. P., Hirao, H. & Hong, S. H., 4 Oct 2017, In : Advanced Synthesis and Catalysis. 359, 19, p. 3292-3298

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 1
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  20. Published

    Lewis Acid-Catalyzed Selective [2 + 2]-Cycloaddition and Dearomatizing Cascade Reaction of Aryl Alkynes with Acrylates

    Shen, L., Zhao, K., Doitomi, K., Ganguly, R., Li, Y., Shen, Z., Hirao, H. & 1 othersLoh, T., 27 Sep 2017, In : Journal of the American Chemical Society. 139, 38, p. 13570-13578

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 24
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  21. Published

    Highly Selective and Efficient Ring Hydroxylation of Alkylbenzenes with Hydrogen Peroxide and an Osmium(VI) Nitrido Catalyst

    Kwong, H., Lo, P., Yiu, S., Hirao, H., Lau, K. & Lau, T., 25 Sep 2017, In : Angewandte Chemie - International Edition. 56, 40, p. 12260-12263

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 3
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  22. Published

    Gold(I)/Gold(III)-Catalyzed Selective Synthesis of - Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways

    Lee, D., Kim, S. M., Hirao, H. & Hong, S. H., 15 Sep 2017, In : Organic Letters. 19, 18, p. 4734-4737

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 12
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  23. Using Voltammetry to Measure the Relative Hydrogen-Bonding Strengths of Pyridine and Its Derivatives in Acetonitrile

    Tessensohn, M. E., Koh, Y. R., Lim, S., Hirao, H. & Webster, R. D., 18 Aug 2017, In : ChemPhysChem. 18, 16, p. 2250-2257 8 p.

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

    Scopus citations: 3
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