Publications

2024

  1. Masanori Wakizaka,* Shraddha Gupta, Qingyun Wan, Shinya Takaishi, Honoka Noro, Kazunobu Sato,* and Masahiro Yamashita*, "Spin qubits of Cu(II) doped in Zn(II) metal-organic frameworks above microsecond phase memory time", Chem Eur J., Published online (2024). (DOI:10.1002/chem.202304202)

    2023

    1. (Open access)Satoshi Takebayashi, Jama Ariai, Urs Gellrich, Sergey Kartashov, Robert Fayzullin, Hyung-Been Kang, Takeshi Yamane, Kenji Sugisaki, and Kazunobu Sato, "Synthesis and characterization of a formal 21-electron cobaltocene derivative", Nat. Commun., 14, 4979-10 (2023). (DOI:10.1038/s41467-023-40557-7)
    2. Shinobu Arikawa, Akihiro Shimizu, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Hikaru Sotome, Hiroshi Miyasaka, Masahito Murai, Shigehiro Yamaguchi, Ryo Shintani, "A Kinetically Stabilized Nitrogen-Doped Triangulene Cation: Stable and NIR Fluorescent Diradical Cation with Triplet Ground State", Angew. Chem. Int. Ed., 62, e202302714-8 (2023). (DOI:10.1002/anie.202302714)
    3. Akihiro Shimizu,* Masaaki Hayashida, Yuta Ochi, Daisuke Shiomi, Kazunobu Sato,* Takeji Takui, and Ryo Shintani*, "Zwitterionic Open-Shell Singlet Diradical with Solvent-Dependent Singlet-Triplet Energy Gap", Asian J. Org. Chem., 12, e202300224-5 (2023). (DOI:10.1002/ajoc.202300224)
    4. Toshima, K.; Sato, T.; Horii, Y.; Sato, K.; Sugisaki, K.; Breedlove, B.; Takaishi, S.; Li, Z.-Y.; Yamashita, M., "Slow Magnetic Relaxations of Ni(III) Complexes toward Molecular Spin Qubits", Eur. J. Inorg. Chem., 26, e202300125-7 (2023). (DOI:10.1002/ejic.202300125)
    5. Koyama, S.; Sato, K.; Yamashita, M.; Sakamoto, R.; Iguchi, H., "Observation of Slow Magnetic Relaxation Phenomena in Spatially Isolated π-Radical Ions", Phys. Chem. Chem. Phys., 25, pp.5459-5467 (2023). (DOI:10.1039/d2cp06026d)
    6. (Editorial) K. Sato, E. Bagryanskaya, M. Affronte, S. Hill, "A Special Issue of Applied Magnetic Resonance in Honor of Professor Takeji Takui on the Occasion of His 80th Birthday", Appl. Mag. Reson., 54, pp.1-6 (2023). (DOI:10.1007/s00723-022-01520-9)
    7. I. Suetake, K. Sato, T. Sugishita, Y. Mishima, T. Takei, T. Fujiwara, R. Mutoh, A. Shinohara, T. Takui, M. Miyata, H. Hojo, T. Arata, "Dynamics of the HP1 Hinge Region with DNA Measured by Site-Directed Spin Labeling-EPR Spectroscopy", Appl. Mag. Reson., 54, pp.119-141 (2023). (DOI:10.1007/s00723-022-01519-2)
    8. Kazunobu Sato,* Rei Hirao, Satoru Yamamoto, Konstantin L. Ivanov, Takeji Takui, "Adiabatic spin dynamics by chirped microwave pulses based on AWG-ESR", Appl. Mag. Reson., 54, pp.183-201 (2023).
      (DOI:10.1007/s00723-022-01513-8)

    2022

    1. (Open access)Kenji Sugisaki,* Hiroyuki Wakimoto, Kazuo Toyota, Kazunobu Sato,* Daisuke Shiomi, and Takeji Takui*, "Quantum Algorithm for Numerical Energy Gradient Calculations at the Full Configuration Interaction Level of Theory", J. Phys. Chem. Lett., 13, pp.11105-11111 (2022). (DOI:10.1021/acs.jpclett.2c02737)
    2. (Open access)Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, and Takeji Takui, "Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functions", Communications Chemistry, 5, Article number:84 (2022). (DOI:10.1038/s42004-022-00701-8)
    3. Tsuyoshi Murata, Kenta Yoshida, Shuichi Suzuki, Akira Ueda, Shinsuke Nishida, Junya Kawai, Kozo Fukui, Kazunobu Sato, Takeji Takui, Kazuhiro Nakasuji, and Yasushi Morita*, "Double-σ-Bonded Close-Shell Dimers and Peroxy-Linked Open-Shell Dimer Derived from a C3 Symmetric Trioxophenalenyl Neutral Diradical", Chemistry-A European Journal, 28, pp.e20220142-10 (2022). (DOI:10.1002/chem.202201426)
    4. Akihiro Shimizu,* Tetsuya Morikoshi, Kenji Sugisaki, Daisuke Shiomi, Kazunobu Sato,* Takeji Takui, and Ryo Shintani*, "Synthesis and Isolation of a Kekulé Hydrocarbon with a Triplet Ground State", Angew. Chem. Int. Ed., 61, pp.e202205729-5 (2022). (DOI:10.1002/anie.202205729)
    5. Koki Horii, Ryohei Kishi, Masayoshi Nakano, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Akihito Konishi, Makoto Yasuda, "Bis-periazulene as a Non-alternant Isomer of Pyrene: Synthesis and Characterization of Its Triaryl Derivatives", J. Am. Chem. Soc., 144, pp.3370-3375 (2022). (DOI:10.1021/jacs.2c00476)
    6. Ryu, Tanimoto, Tomoyuki Wada, Keiji Okada, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Suzuki Shuichi, Takeshi Naota, Masatoshi Kozaki, "A Molecule Having 13 Unpaired Electrons: Magnetic Property of a Gadolinium(III) Complex Coordinated with Six Nitronyl Nitroxide Radicals", Inorganic Chemistry, 61, pp.3018-3023 (2022). (DOI:10.1021/acs.inorgchem.1c03764)
    7. Tasuku Kumagai, Shuichi Suzuki, Yuki Kanzaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Rika Tanaka, Keiji Okada, Masatoshi Kozaki, "Heteroatom-Incorporated Trimethylenemethane: Synthesis and Properties of Triphenylphenylnitroxide-(Nitronyl Nitroxide) Dyad", Chem. Lett., 51, pp.458-460 (2022). (DOI:10.1246/cl.220021)
    8. Tsuyoshi Murata,* Noriaki Asakura, Ryotaro Tsuji, Yuki Kanzaki, Kazunobu Sato, Takeji Takui, and Yasushi Morita*, "A Redox-Active Microporous Organosiloxane Containing a Stable Neutral Radical, Trioxotriangulene", Chemistry A European J., 28, pp.e202104447-10 (2022). (DOI:https://doi.org/10.1002/chem.202104447)

    2021

    1. Hideki Sugimoto, Mayuka Yano, Kazunobu Sato, Mayuko Miyanishi, Kenji Sugisaki, Yoshihito Shiota, Akira Kaga, Kazunari Yoshizawa, Shinobu Itoh, "Tin(II)-Nitrene Radical Complexes Formed by Electron Transfer from Redox-Active Ligand to Organic Azides and Their Reactivity in C(sp3)-H Activation", Inorg. Chem., 60, pp.18603-18607 (2021). (DOI:10.1021/acs.inorgchem.1c02806)
    2. Shinobu Arikawa, Akihiro Shimizu,* Daisuke Shiomi,* Kazunobu Sato,* Ryo Shintani*, "Synthesis and Isolation of a Kinetically Stabilized Crystalline Triangulene", J. Am. Chem. Soc., 143, pp.19599-19695 (2021). (DOI:10.1021/jacs.1c10151)
    3. (Open access)Kenji Sugisaki,* Chikako Sakai, Kazuo Toyota, Kazunobu Sato,* Daisuke Shiomi and Takeji Takui*, "Quantum Algorithm for Full Configuration Interaction Calculations without Controlled Time Evolutions", J. Phys. Chem. Lett., 12, pp.11085-11089 (2021). (DOI:10.1021/acs.jpclett.1c03214)
    4. (Open access)Kenji Sugisaki,* Chikako Sakai, Kazuo Toyota, Kazunobu Sato,* Daisuke Shiomi and Takeji Takui*, "A Bayesian phase difference estimation: a general quantum algorithm for the direct calculation of energy gaps", Phys. Chem. Chem. Phys., 23, pp.20152-20162 (2021). (DOI:10.1039/d1cp03156b)
    5. Tsuyoshi Murata, Yosuke Yamamoto, Akira Ueda, Tomoaki Ise, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Yasushi Morita, "Synthesis and Physical Properties of Trioxotriangulene Having Methoxy and Hydroxy Groups at α-Positions: Electronic and Steric Effects of Substituent Groups and Intramolecular Hydrogen Bonds", J. Org. Chem., 86, pp.10154-10165 (2021). (DOI:10.1021/acs.joc.1c00880)
    6. Taiki Shibata, Satoru Yamamoto, Shigeaki Nakazawa, Elham Hosseini Lapasar,* Kenji Sugisaki, Koji Maruyama, Kazuo Toyota, Daisuke Shiomi, Kazunobu Sato*, Takeji Takui*, "Molecular Optimization for Nuclear Spin State Control via A Single Electron Spin Qubit by Optimal Microwave Pulses: Quantum Control of Molecular Spin Qubits", Appl. Magn. Reson., 53, pp.777-796 (2021). (DOI:10.1007/s00723-021-01392-5)
    7. Isao Suetake*, Shigeaki Nakazawa, Kazunobu Sato, Risa Mutoh, Yuichi Mishima1, Toru Kawakami, Toshiki Takei, Mikio Watanabe, Norio Sakai, Toshimichi Fujiwara, Takeji Takui, Makoto Miyata, Akira Shinohara, Hironobu Hojo, Toshiaki Arata*, "Structural dynamics of the chromo-shadow domain and chromodomain of HP1 bound to histone H3K9 methylated peptide, as measured by site-directed spin-labeling EPR spectroscopy", Biochem. Biophys. Res. Commun., 567, pp.42-48 (2021). (DOI:10.1016/j.bbrc.2021.06.010)
    8. Claudio Bonizzoni,* Alberto Ghirri, Shigeaki Nakazawa, Shinsuke Nishida, Kazunobu Sato, Takeji Takui, Marco Affronte, "Transmission Spectroscopy of Molecular Spin Ensembles in the Dispersive Regime", Adv. Quantum Technol., 2021, pp.2100039-1-12 (2021). (DOI:10.1002/qute.202100039)
    9. Nico Bonanno, Zackery Watts, Cole Mauws, Brian O. Patrick, Chris Wiebe, Yuki Shibano, Kenji Sugisaki, Hideto Matsuoka, Daisuke Shiomi, Kazunobu Sato, Takeji Takui and Martin Lemaire, "Valence tautomerism in a [2×2] Co4 grid complex containing a ditopic arylazo ligand", Chem. Commun., 57, pp.6213-6216 (2021). (DOI:10.1039/D1CC01991K)
    10. Tomomi Kanno, Shigeaki Nakazawa, Etsuko Harada, Hiromi Kameya, Yoshiaki Miyake, Kazunobu Sato, Takeji Takui, Toshihiko Osawa, "Electron spin resonance analysis of different mushroom parts and their hydroxyl radical scavenging activities assessed by spin trapping method", Food Sci. Technol. Res., 27, pp.529-536 (2021). (DOI:10.3136/fstr.27.529)
    11. Sayaka Kira, Takayuki Miyamae, Kohei Yoshida, Yuki Kanzaki, Kenji Sugisaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Shuichi Suzuki,* Masatoshi Kozaki,* and Keiji Okada, "Aurophilic Interactions in Multi-radical Species: Electronic-Spin and Redox Properties of Bis- and Tris-[(Nitronyl Nitroxide)-Gold(I)] Complexes with Phosphine-Ligand Scaffolds", Chemistry - A European Journal, 27, pp.11450-11457 (2021). (DOI:10.1002/chem.202101483)
    12. (Open access)Stephen J Blundell*, Tom Lancaster, Peter J Baker, Francis Pratt, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, "The internal field in a ferromagnetic crystal with chiral molecular packing of achiral organic radicals", Magnetochemistry, 7, pp.71-71-10 (2021). (DOI:10.3390/magnetochemistry7050071)
    13. (Open access)Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui, "Quantum Algorithm for the Direct Calculations of Vertical Ionization Energies", J. Phys. Chem. Lett., 12, pp.2880-2885 (2021). (DOI:10.1021/acs.jpclett.1c00283)
    14. (Open access)Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui, "A quantum algorithm for spin chemistry: a Bayesian exchange coupling parameter calculator with broken-symmetry wave functions", Chemical Science, 12, pp.2121-2132 (2021). (DOI:10.1039/d0sc04847j)
    15. N. Yokoyama, N. Tanaka, N. Fujimoto, R. Tanaka, S. Suzuki, D. Shiomi, K. Sato, T. Takui, M. Kozaki, K. Okada, "Syntheses and Properties of (Nitronyl nitroxide)-substituted Tri-phenylamine ortho-Bridged by Two Oxygen and Sulfur Atoms", Chem. Asian J., 16, pp.72-79 (2021). (DOI:10.1002/asia.202001227)

    2020

    1. R. Tanimoto, S. Suzuki, M. Kozaki, Y. Kanzaki, D. Shiomi, K. Sato, T. Takui, R. Tanaka, K. Okada, "Magnetic Properties of Metal Clusters Coordinated with (Nitronyl Nitroxide)‐Substituted Amidinate Ligands", ChemistrySelect, 5, pp.11170-11176 (2020). (DOI:10.1002/slct.202002927)
    2. (Open access, 2020 PCCP Hot article) K. Sugisaki, K. Toyota, K. Sato, D. Shiomi, T. Takui, "A probabilistic spin annihilation method for quantum chemical calculations on quantum computers", Phys. Chem. Chem. Phys., 22, pp.20990-20994 (2020). (DOI:10.1039/D0CP03745A)
    3. E. Zaytseva, D. Shiomi, Y. Ten, Y. V. Gatilov, A. Lomanovich, D. Stass, A. Bogomyakov, A. Yu, K. Sugisaki, K. Sato, T. Takui, E. Bagryanskaya, D. Mazhukin, "Magnetic Properties of π-Conjugated Hybrid Phenoxyl-Nitroxide Radicals with Extended π-Spin Delocalization", J. Phys. Chem. A, 124, pp.2416-2426 (2020). (DOI:10.1021/acs.jpca.9b11856)
    4. Tsuyoshi Murata,* Masaaki Yokoyama, Akira Ueda, Yuki Kanzaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, and Yasushi Morita*, "Synthesis of Trioxotriangulene Stable Neutral pi-Radicals Having Alkyl Substituent Groups, and Their Effects on Electronic-spin and pi-Stacking Structures", Chem. Lett., 49, pp.95-98 (2020). (DOI:doi.org/10.1246/cl.190761)
    5. Atsuki Nagata, Shinsuke Hiraoka, Shuichi Suzuki,* Masatoshi Kozaki,* Daisuke Shiomi,* Kazunobu Sato, Takeji Takui, Rika Tanaka, and Keiji Okada*, "Redox-induced Modulation of Exchange Interaction in a Highspin-ground-state Diradical/Triradical System", Chem. Eur. J., 2020, pp.3166-3172 (2019). (DOI:10.1002/chem.201905465)

    2019

    1. Kazunobu Sato,* Rei Hirao, Ivan Timofeev, Olesya Krumkacheva, Elena Zaytseva, Olga Rogozhnikova, Victor M. Tormyshev, Dmitry Trukhin, Elena Bagryanskaya,* Torsten Gutmann, Vytautas Klimavicius, Gerd Buntkowsky, Kenji Sugisaki, Shigeaki Nakazawa, Hideto Matsuoka, Kazuo Toyota, Daisuke Shiomi, Takeji Takui*, "Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals, As Studied by Dynamic Nuclear Polarization Multifrequency ESR/ENDOR, Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations", J. Phys. Chem. A, 123, pp.7507-7517 (2019). (DOI:10.1021/acs.jpca.9b07169)
    2. Kaiji Uchida,* Goulven Cosquer, Kenji Sugisaki, Hideto Matsuoka, Kazunobu Sato, Brian K. Breedlove, Masahiro Yamashita*, "Isostructural M(II) Complexes (M = Mn, Fe, Co) with Field-Induced Slow Magnetic Relaxation for Mn and Co Complexes", Dalton Trans., 48, pp.12023-12030 (2019). (DOI:10.1039/c8dt02150c)
    3. Tsuyoshi Murata, Kazuki Kariyazono, Shusaku Ukai, Akira Ueda, Yuki Kanzaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui and Yasushi Morita*, "Trioxotriangulene with Carbazole: A Donor-Acceptor Molecule Showing Strong Near-Infrared Absorption Exceeding 1,000 nm", Org. Chem. Front., 6, pp.3107-3115 (2019). (DOI:10.1039/c9qo00663j)
    4. (Open access, 2019 PCCP Hot article) Kenji Sugisaki*, Shigeaki Nakazawa, Kazuo Toyota, Kazunobu Sato*, Daisuke Shiomi, and Takeji Takui*, "Quantum chemistry on quantum computers: quantum simulations of the time evolution of wave functions under the S2 operator and determination of the spin quantum number S", Phys. Chem. Chem. Phys., 21, pp.15356-15361 (2019). (DOI:10.1039/C9CP02546D)
    5. Akihito Konishi*, Koki Horii, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Makoto Yasuda*, "Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene", J. Am. Chem. Soc., 141, pp.10165-10170 (2019). (DOI:10.1021/jacs.9b04080)
    6. Takuma Tahara, Shuichi Suzuki,* Masatoshi Kozaki, Daisuke Shiomi, Kenji Sugisaki, Kazunobu Sato, Takeji Takui, Yota Miyake, Yuko Hosokoshi,* Hiroyuki Nojiri, and Keiji Okada*, "Triplet Diradical-Cation Salts Consisting of the Phenothiazine Radical Cation and a Nitronyl Nitroxide", Chem. Eur. J., 25, pp.7201-7209 (2019). (DOI:10.1002/chem.201900513)
    7. Haruki Tsujimoto, ShuichiSuzuki,* MasatoshiKozaki, DaisukeShiomi, Kazunobu Sato, Takeji Takui, and Keiji Okada*, "Synthesis and Magnetic Properties of (Pyrrolidin-1-oxyl)-(Nitronyl Nitroxide)/(Iminonitroxide)-Dyads", Chem. Asian J., 14, pp.1801-1805 (2019). (DOI:10.1002/asia.201801615)
    8. Elena Zaytseva, Ivan Timofeev, Olesya Krumkacheva, Dmitryi Parkhomenko, Dmitrii Mazhukin, Kazunobu Sato, Hideto Matsuoka, Takeji Takui, Elena Bagryanskaya*, "EPR and DEER Characterization of New Mixed Weakly Coupled Nitroxide Triradicals for Molecular Three-Spin Qubits", Appl. Magn. Reson., 50, pp.967-976 (2019). (DOI:10.1007/s00723-019-01125-9)
    9. Tsuyoshi Murata, Noriaki Asakura, Shusaku Ukai, Akira Ueda, Yuki Kanzaki, Kazunobu Sato, Takeji Takui, and Yasushi Morita, "Intramolecular Magnetic Interaction of Spin-Delocalized Neutral Radicals through m-Phenylene Spacers", ChemPlusChem, 84, pp.680-685 (2019). (DOI:10.1002/cplu.201800662)
    10. (Open access) Kenji Sugisaki*, Shigeaki Nakazawa, Kazuo Toyota, Kazunobu Sato*, Daisuke Shiomi, and Takeji Takui*, "Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree-Fock Calculations", ACS Central Science, 5, pp.167-175 (2019). (DOI:10.1021/acscentsci.8b00788)

    2018

    1. (Open access) Kenji Sugisaki,* Satoru Yamamoto, Shigeaki Nakazawa, Kazuo Toyota, Kazunobu Sato,* Daisuke Shiomi, Takeji Takui*, "Open shell electronic state calculations on quantum computers: A quantum circuit for the preparation of configuration state functions based on Serber construction", Chemical Physics Letters X, 1, pp.100002-1-6 (2018). (DOI:10.1016/j.cpletx.2018.100002)
    2. Haruki Tsujimoto, Shuichi Suzuki,* Masatoshi Kozaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, and Keiji Okada*, "Synthesis and Magnetic Properties of (Pyrrolidin-1-oxyl)-(Nitronyl Nitroxide)/(Iminonitroxide)-Dyads", Chem. Asian J., Published online (2018). (DOI:10.1002/asia.201801615)
    3. Yuki Kanzaki, Satoshi Mitani, Daisuke Shiomi, Yasushi Morita, Takeji Takui, and Kazunobu Sato*, "Microscopic Behavior of Active Materials Inside a TCNQ-Based Lithium-Ion Rechargeable Battery by in Situ 2D ESR Measurements", ACS Applied Materials & Interfaces, 10, pp.43631-43640 (2018). (DOI:10.1021/acsami.8b14967)
    4. Takeshi Yamane, Kenji Sugisaki, Hideto Matsuoka, Kazunobu Sato,* Kazuo Toyota, Daisuke Shiomi and Takeji Takui*, "ESR analyses of picket fence MnII and 6th ligand coordinated FeIII porphyrins (S = 5/2) and a CoII(hfac) complex (S = 3/2) with sizable ZFS parameters revisited: a full spin Hamiltonian approach and quantum chemical calculations", Dalton Trans., 47, pp.16429-16444 (2018). (DOI:10.1039/C8DT02988A)
    5. Nico M. Bonanno, Prashanth Poddutoori, Kazunobu Sato, Kenji Sugisaki, Takeji Takui, Alan Lough, Martin T. Lemaire, "Reversible solution pi‐dimerization and long multicenter bonding in a stable phenoxyl radical", Chem. Eur. Journal, 24, pp.14906-14910 (2018). (DOI:10.1002/chem.201802204)
    6. Yasushi Morita, Tsuyoshi Murata, Akira Ueda, Chiaki Yamada, Yuki Kanzaki, Daisuke Shiomi, Kazunobu Sato, and Takeji Takui, "Trioxotriangulene: Air- and Thermally Stable Organic Carbon-Centered Neutral π-Radical without Steric Protection", Bull. Chem. Soc. Jpn., 91, pp.922-931 (2018). (DOI:10.1246/bcsj.20180074)
    7. Shigeaki Nakazawa, Tomomi Kanno, Kenji Sugisaki, Hiromi Kameya, Miki Matsui, Mitsuko Ukai, Kazunobu Sato, Takeji Takui, "Fe-transferrins or their homologues in ex-vivo mushrooms as identified by ESR spectroscopy and quantum chemical calculations: A full spin-Hamiltonian approach for the ferric sextet state with intermediate zero-field splitting parameters", Food Chem., 266, pp.24-30 (2018). (DOI:10.1016/j.foodchem.2018.05.092)
    8. Ema, Fumitoshi; Tanabe, Mana; Saito, Shohei; Yoneda, Tomoki; Sugisaki, Kenji; Tachikawa, Takashi; Akimoto, Seiji; Yamauchi, Seigo; Sato, Kazunobu; Osuka, Atsuhiro; Takui, Takeji; Kobori, Yasuhiro, "Charge-Transfer Character Drives Moebius Antiaromaticity in the Excited Triplet State of Twisted [28]Hexaphyrin", J. Phys. Chem. Lett., 9, pp.2685-2690 (2018). (DOI:10.1021/acs.jpclett.8b00740)
    9. Bogdan A. Rodin, Alexey S. Kiryutin, Alexandra V. Yurkovskaya, Konstantin L. Ivanov,* Satoru Yamamoto, Kazunobu Sato, Takeji Takui, "Using optimal control methods with constraints to generate singlet states in NMR", J. Magn. Reson., 291, pp.14-22 (2018). (DOI:10.1016/j.jmr.2018.03.005)

    2017

    1. Kenji Sugisaki,* Kazuo Toyota, Kazunobu Sato,* Daisuke Shiomi and Takeji Takui*, "Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo)", Phys. Chem. Chem. Phys., 19, pp.30128-30138 (2017). (DOI:10.1039/c7cp05533a)
    2. Akihito Konishi, Yui Okada, Motohiro NAKANO, Kenji Sugisaki, Kazunobu Sato, Takeji Takui, and Makoto Yasuda, "Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmoniza-tion of the Antiaromatic and Singlet Biradical Character", J. Am. Chem. Soc., 139, pp.15284-15287 (2017). (DOI:10.1021/jacs.7b05709)
    3. Makoto Haraguchi, Evgeny Tretyakov,* Nina Gritsan, Galina Romanenko, Dmitry Gorbunov, Artem Bogomyakov, Kseniya Maryunina, Shuichi Suzuki, Kozaki Masatoshi, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Sadafumi Nishihara, Katsuya Inoue, and Keiji Okada*, , "(Azulene-1,3-diyl)-bis(nitronyl nitroxide) and -bis(iminonitroxide) and Their Copper Complexes", Chem. Asian J., 12, pp.2929-2941 (2017). (DOI:10.1002/asia.201701085)
    4. Shuichi Suzuki, Nobuaki Tanaka, Masatoshi Kozaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, and Keiji Okada, "Synthesis and Magnetic Properties of Trioxytriphenylamine Dimers in Di(radical cationic) States", Chem. Eur. J., 23, pp.16014-16025 (2017). (DOI:10.1002/chem.201703220)
    5. Takeshi Yamane, Kenji Sugisaki, Tomoki Nakagawa, Hideto Matsuoka, Takahisa Nishio, Shigemori Kinjyo, Nobuyuki Mori, Satoshi Yokoyama,Chika Kawashima, Naoki Yokokura, Kazunobu Sato,* Yuki Kanzaki, Daisuke Shiomi, Kazuo Toyota, David H. Dolphin, Wei-Ching Lin, Charles A. McDowell, Makoto Tadokoro and Takeji Takui*, "Analyses of sizable ZFS and magnetic tensors of high spin metallocomplexes", Phys. Chem. Chem. Phys., 19, pp.24769-24791 (2017). (DOI:10.1039/c7cp03850j)
    6. Satoru Yamamoto, Shigeaki Nakazawa, Kenji Sugisaki, Kensuke Maekawa, Kazunobu Sato*, Kazuo Toyota, Daisuke Shiomi and Takeji Takui, "Structural Determination of a DNA Oligomer for a Molecular Spin Qubit Lloyd Model of Quantum Computers", Z. Phys. Chem., 231, pp.439-458 (2017). (DOI:10.1515/zpch-2016-0799)
    7. Hirokazu Miyoshi, Masahito Miki, Shintaro Hirano, Akihiro Shimizu, Ryohei Kishi, Kotaro Fukuda, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Ichiro Hisaki, Masayoshi Nakano, Yoshito Tobe, "Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of π Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids", J. Org. Chem., 82, pp.1380-1388 (2017). (DOI:10.1021/acs.joc.6b02500)

    2016

    1. Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, and Takeji Takui, "Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin-Orbit Term of Zero-Field Splitting Tensors", J. Phys. Chem. A, 120, pp.9857-9866 (2016). (DOI:10.1021/acs.jpca.6b10253)
    2. Kenji Sugisaki, Satoru Yamamoto, Shigeaki Nakazawa, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, and Takeji Takui, "Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wavefunctions of Open Shell Molecules", J. Phys. Chem. A, 120, pp.6459-6466 (2016). (DOI:10.1021/acs.jpca.6b04932)
    3. Shuich Suzuki, Tomoyuki Wada, Ryu Tanimoto, Masatoshi Kozaki, Daisuke Shiomi, Kenji Sugisaki, Kazunobu Sato, Takeji Takui, Yota Miyake, Yuko Hosokoshi, and Keiji Okada, "Cyclic Triradicals Composed of Iminonitroxide-Gold(I) with Intramolecular Ferromagnetic Interaction",Angew. Chem. Int. Ed., 55, Published online (2016). (DOI:10.1002/anie.201604320)

    2015

    1. Daniel K. Park, Guanru Feng, Robabeh Rahimi, St'ephane Labruyere, Taiki Shibata, Shigeaki Nakazawa, Kazunobu Sato, Takeji Takui, Raymond Laflamme, Jonathan Baugh, "Hyperfine spin qubits in irradiated malonic acid: heat-bath algorithmic cooling", Quantum Inf. Proccess., 14, pp.2435-2461 (2015). (DOI:10.1007/s11128-015-0985-1)
    2. Satoru Yamamoto, Shigeaki Nakazawa, Kenji Sugisaki, Kazunobu Sato, Kazuo Toyota, Daisuke Shiomi and Takeji Takui, "Adiabatic Quantum Computing with Spin Qubits Hosted by Molecules", Phys. Chem. Chem. Phys., 17, pp.2742-2749 (2015). (DOI:10.1039/C4CP04744C)

    2014

    1. S. Suzuki, H. Yokoi, M. Kozaki, Y. Kanzaki, D. Shiomi, K. Sato, T. Takui, andK. Okada, "Synthesis and Properties of a Bis[(Nitronyl Nitroxide)-2-ide Radical Anion]-Palladium Complex", Eur. J. Inorg. Chem., 2014, pp.4740-4744 (2014). (DOI:10.1002/ejic.201402564) 
    2. Irina Barskaya, Evgeny Tretyakov, Renad Sagdeev, Victor Ovcharenko, Elena Bagryanskaya, Kseniya Maryunina, Takeji Takui, Kazunobu Sato, Matvey Fedin, "Photoswitching of a Thermally Unswitchable Molecular Magnet Cu(hfac)2Li-Pr Evidenced by Steady-State and Time-Resolved Electron Paramagnetic Resonance", J. Am. Chem. Soc., 136, pp.10132-10138 (2014). (DOI:10.1021/ja504774q)
    3. Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Masahiro Kitagawa, and Takeji Takui, "An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin-orbit contributions are affected", Phys. Chem. Chem. Phys., 16, pp.9171-9181 (2014). (DOI:10.1039/c4cp00822g)
    4. T. Furui, S. Suzuki, M. Kozaki, D. Shiomi, K. Sato, T. Takui, K. Okada, E. V. Tretyakov, S. E. Tolstikov, G. V. Romanenko, and V. I. Ovcharenko, "Preparation and Magnetic Properties of Metal-Complexes from N-t-Butyl-N-oxidanyl-2-amino-(nitronyl nitroxide)", Inorg. Chem., 53, pp.802-809 (2014). (DOI:10.1021/ic4020898)
    5. R. Tanimoto, S. Suzuki, M. Kozaki, D. Shiomi, K. Sato, T. Takui, and K. Okada, "Synthesis and Magnetic Properties of Nitronyl Nitroxides with an Adjacent Chiral Group", Bull. Chem. Soc. Jpn., 87, pp.314-322 (2014). (DOI:10.1246/bcsj.20130264)

    2013

    1. K. Ayabe, K. Sato, S. Nakazawa, S. Nishida, K. Sugisaki, T. Ise, Y. Morita, K. Toyota, D. Shiomi, M. Kitagawa, S. Suzuki, K. Okada, and T. Takui, "Pulsed electron spin nutation spectroscopy for weakly exchange-coupled multi-spin molecular systems with nuclear hyperfine couplings: a general approach to bi- and triradicals and determination of their spin dipolar and exchange interactions", Molecular Physics, 111, pp.2767-2787 (2013). (DOI:10.1080/00268976.2013.811304)
    2. S. Nishida, Y. Yamamoto, T. Takui, and Y. Morita, "Organic Rechargeable Batteries with Tailored Voltage and Cycle Performance", ChemSusChem, 6, pp.794-797 (2013). (DOI:10.1002/cssc.201300010)
    3. H. Atsumi, S. Nakazawa, C. Dohno, K. Sato, T. Takui, and K. Nakatani, "Ligand-induced electron spin-assembly on a DNA tile", Chem. Commun., 49, pp.6370-6372 (2013). (DOI:10.1039/c3cc41801d)
    4. A. Shimizu, R. Kishi, M. Nakano, D. Shiomi, K. Sato, T. Takui, I. Hisaki, M. Miyata, and Y. Tobe, "Indeno[2,1-b]fluorene: A 20 pi electron hydrocarbon with extremely low energy light absorption", Angew. Chem. Int. Ed., 52, pp.6076-6079 (2013). (DOI:10.1002/anie.201302091)
    5. A. Ueda, S. Suzuki, K. Yoshida, K. Fukui, K. Sato, T. Takui, K. Nakasuji, and Y. Morita, "Hexamethoxyphenalenyl as a Possible Quantum Spin Simulator: An Electronically Stabilized Neutral π Radical with Novel Quantum Coherence Owing to Extremely High Nuclear Spin Degeneracy", Angew. Chem. Int. Ed., 52, pp.4795-4799 (2013). (DOI:10.1002/anie.201301435)

    2012

    1. M. Tanabe, H. Matsuoka, Y. Ohba, S. Yamauchi, K. Sugisaki, K. Toyota, K. Sato, T. Takui, I. Goldberg, I. Saltsman, and Z. Gross, "Time-Resolved Electron Paramagnetic Resonance and Phosphorescence Studies of the Lowest Excited Triplet States of Rh(III) Corrole Complexes", J. Phys. Chem. A, 116, pp.9662-9673 (2012). (DOI:10.1021/jp3071037)
    2. S. Nakazawa, S. Nishida, T. Ise, T. Yoshino, N. Mori, R. D. Rahimi, K. Sato, Y. Morita, K. Toyota, D. Shiomi, M. Kitagawa, H. Hara, P. Carl, P. Hoefer, and T. Takui, "A Synthetic Two-Spin Quantum Bit: g-Engineered Exchange-Coupled Biradical Designed for Controlled-NOT Gate Operations", Angew. Chem. Int. Ed., 51, pp.9860-9864 (2012). (DOI:10.1002/anie.201204489)
    3. K. Maruyama, D. Burgarth, A. Ishizaki, T. Takui, and K. B. Whaley, "Application of indirect Hamiltonian tomography to complex systems with short coherence times", Quantum Information and Computation, 12, pp.763-774 (2012). http://www.rintonpress.com/journals/qiconline.html#v12n78
    4. M. Kuratsu, S. Suzuki, M. Kozaki, D. Shiomi, K. Sato, T. Takui, T. Kanzawa, Y. Hosokoshi, X.-Z. Lan, Y. Miyazaki, A. Inaba, and K. Okada, "(Nitronyl Nitroxide)-Substituted Trioxytriphenylamine Radical Cation Tetrachlorogallate Salt: A 2p-Electron-Based Weak Ferromagnet Composed of a Triplet Diradical Cation", Chemistry, An Asian Journal, 7, pp.1604-1609 (2012). (DOI:10.1002/asia.201200084)
    5. A. Ueda, H. Wasa, S. Suzuki, K. Okada, K. Sato, T. Takui, and Y. Morita, "Chiral Stable Phenalenyl Radical: Synthesis, Electronic-Spin Structure, and Optical Properties of [4]Helicene-Structured Diazaphenalenyl", Angew. Chem. Int. Ed., 51, pp.6691-6695 (2012). (DOI:10.1002/anie.201202654)
    6. K. Ayabe, K. Sato, S. Nishida, T. Ise, S. Nakazawa, K. Sugisaki, Y. Morita, K. Toyota, D. Shiomi, M. Kitagawa, and T. Takui, "Pulsed electron spin nutation spectroscopy of weakly exchange-coupled biradicals: a general theoretical approach and determination of the spin dipolar interaction", Phys. Chem. Chem. Phys., 14, pp.9137-9148 (2012). (DOI:10.1039/c2cp40778g)
    7. S. Suzuki, A. Nagata, M. Kuratsu, M. Kozaki, R. Tanaka, D. Shiomi, K. Sugisaki, K. Toyota, K. Sato, T. Takui, and K. Okada, "Trinitroxide-Trioxytriphenylamine: Spin-State Conversion from Triradical Doublet to Diradical Cation Triplet by Oxidative Modulation of a p-Conjugated System", Angew. Chem. Int. Ed., 51, pp.3193-3197 (2012). (DOI:10.1002/anie.201107265)
    8. E. Hosseini Lapasar, K. Maruyama, D. Burgarth, T. Takui, Y. Kondo, and M. Nakahara, "Estimation of Coupling Constants of a Three-Spin Chain: Case Study of Hamiltonian Tomography with NMR", New J. Phys., 14, 013043 (2012). (DOI:10.1088/1367-2630/14/1/013043)
    9. D. Shiomi, Y. Kanzaki, S. Okada, R. Arima, Y. Miyazaki, A. Inaba, R. Tanaka, K. Sato, and T. Takui, "An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals", J. Phys. Chem. Letters, 2, pp.3036-3039 (2012). (DOI:10.1021/jz2014105)
    10. H. Atsumi, K. Maekawa, S. Nakazawa, D. Shiomi, K. Sato, M. Kitagawa, T. Takui, and K. Nakatani, "Tandem Arrays of TEMPO and Nitronyl Nitroxide Radicals with Designed Arrangements on DNA", Chem. Eur. J., 18, pp.178-183 (2012). (DOI:10.1002/chem.201102693)
    11. Y. Kanzaki, D. Shiomi, K. Sato, and T. Takui, "Biradical Paradox Revisited Quantitatively: A Theoretical Model for Self-Associated Biradical Molecules as Antiferromagnetically Exchange-Coupled Spin Chains in Solution", J. Phys. Chem. B, 116, pp.1053-1059 (2012). (DOI:10.1021/jp211391x)
    12. S. Yamauchi, M. Tanabe, Y. Ohba, K. Sugisaki, K. Toyota, K. Sato, T. Takui, and I. Saltsman, "Complete assignment of spin sublevels in the lowest excited triplet state of corrole compounds by time-resolved EPR spectroscopy", Chem. Phys. Lett., 521, pp.64-68 (2012). (DOI:10.1016/j.cplett.2011.11.040)

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