日本物理学会

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Synthesis and Isolation of a Kekulé Hydrocarbon with a Triplet Ground State 査読

Akihiro Shimizu, Tetsuya Morikoshi, Kenji Sugisaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, and RyoShintani

Angewandte Chemie - International Edition   61 ( 29 )   e202205729   2022年07月（ ISSN:14337851 ）

Heteroatom-incorporated Trimethylenemethane: Synthesis and Properties of Triphenylphenylnitroxide–(Nitronyl Nitroxide) Dyad

Kumagai Tasuku, Suzuki Shuichi, Kanzaki Yuki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Tanaka Rika, Okada Keiji, Kozaki Masatoshi

Chemistry Letters   51 ( 4 )   458 - 460   2022年04月（ ISSN:03667022 ）

Bis-periazulene (Cyclohepta[ def]fluorene) as a Nonalternant Isomer of Pyrene: Synthesis and Characterization of Its Triaryl Derivatives 査読

Koki Horii, Ryohei Kishi, Masayoshi Nakano, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Akihito Konishi, MakotoYasuda

Journal of the American Chemical Society   144 ( 8 )   3370 - 3375   2022年03月（ ISSN:00027863 ）

A Molecule Having 13 Unpaired Electrons: Magnetic Property of a Gadolinium(III) Complex Coordinated with Six Nitronyl Nitroxide Radicals 査読

Ryu Tanimoto, Tomoyuki Wada, Keiji Okada, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Suzuki Shuichi, TakeshiNaota, Masatoshi Kozaki

Inorganic Chemistry   61 ( 7 )   3018 - 3023   2022年02月（ ISSN:00201669 ）

Synthesis and Isolation of a Kinetically Stabilized Crystalline Triangulene 査読

Shinobu Arikawa, Akihiro Shimizu, Daisuke Shiomi, Kazunobu Sato, and Ryo Shintani

Journal of the American Chemical Society   143 ( 46 )   19599 - 19605   2021年11月

Bayesian phase difference estimation: a general quantum algorithm for the direct calculation of energy gaps 査読

Sugisaki Kenji, Sakai Chikako, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

Royal Society of Chemistry (RSC)　PHYSICAL CHEMISTRY CHEMICAL PHYSICS   23 ( 36 )   20152 - 20162   2021年09月（ ISSN:1463-9076 ）

Synthesis and Physical Properties of Trioxotriangulene Having Methoxy and Hydroxy Groups at alpha-Positions: Electronic and Steric Effects of Substituent Groups and Intramolecular Hydrogen Bonds 査読

Murata Tsuyoshi, Yamamoto Yosuke, Ueda Akira, Ise Tomoaki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Morita Yasushi

American Chemical Society (ACS)　JOURNAL OF ORGANIC CHEMISTRY   86 ( 15 )   10154 - 10165   2021年08月（ ISSN:0022-3263 ）

Aurophilic Interactions in Multi-Radical Species: Electronic-Spin and Redox Properties of Bis- and Tris-[(Nitronyl Nitroxide)-Gold(I)] Complexes with Phosphine-Ligand Scaffolds 査読

Kira Sayaka, Miyamae Takayuki, Yoshida Kohei, Kanzaki Yuki, Sugisaki Kenji, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Suzuki Shuichi, Kozaki Masatoshi, Okada Keiji

CHEMISTRY-A EUROPEAN JOURNAL   27 ( 44 )   11450 - 11457   2021年08月（ ISSN:0947-6539 ）

Molecular Optimization for Nuclear Spin State Control via a Single Electron Spin Qubit by Optimal Microwave Pulses: Quantum Control of Molecular Spin Qubits 査読

Shibata Taiki, Yamamoto Satoru, Nakazawa Shigeaki, Lapasar Elham Hosseini, Sugisaki Kenji, Maruyama Koji, Toyota Kazuo, Shiomi Daisuke, Sato Kazunobu, Takui Takeji

APPLIED MAGNETIC RESONANCE   2021年08月（ ISSN:0937-9347 ）

Valence tautomerism in a [2 x 2] Co-4 grid complex containing a ditopic arylazo ligand 査読

Bonanno Nico M., Watts Zackery, Mauws Cole, Patrick Brian O., Wiebe Christopher R., Shibano Yuki, Sugisaki Kenji, Matsuoka Hideto, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Lemaire Martin T.

Royal Society of Chemistry (RSC)　CHEMICAL COMMUNICATIONS   57 ( 50 )   6213 - 6216   2021年06月（ ISSN:1359-7345 ）

Quantum Algorithm for the Direct Calculations of Vertical Ionization Energies 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY LETTERS   12 ( 11 )   2880 - 2885   2021年03月（ ISSN:1948-7185 ）

A quantum algorithm for spin chemistry: a Bayesian exchange coupling parameter calculator with broken-symmetry wave functions 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

CHEMICAL SCIENCE   12 ( 6 )   2121 - 2132   2021年02月（ ISSN:2041-6520 ）

Syntheses and Properties of (Nitronyl nitroxide)-substituted Tri-phenylamine ortho-Bridged by Two Oxygen and Sulfur Atoms 査読

Yokoyama Naoki, Tanaka Nobuaki, Fujimoto Natsumi, Tanaka Rika, Suzuki Shuichi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Kozaki Masatoshi, Okada Keiji

CHEMISTRY-AN ASIAN JOURNAL   16 ( 1 )   72 - 79   2021年01月（ ISSN:1861-4728 ）

A probabilistic spin annihilation method for quantum chemical calculations on quantum computers 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   22 ( 37 )   20990 - 20994   2020年10月（ ISSN:1463-9076 ）

Magnetic Properties of Metal Clusters Coordinated with (Nitronyl Nitroxide)-Substituted Amidinate Ligands 査読

Tanimoto Ryu, Suzuki Shuichi, Kozaki Masatoshi, Kanzaki Yuki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Tanaka Rika, Okada Keiji

CHEMISTRYSELECT   5 ( 36 )   11170 - 11176   2020年09月（ ISSN:2365-6549 ）

Magnetic Properties of pi-Conjugated Hybrid Phenoxyl Nitroxide Radicals with Extended pi-Spin Delocalization 査読 国際共著

Zaytseva Elena, Shiomi Daisuke, Ten Yury, Gatilov Yuri V, Lomanovich Alyona, Stass Dmitri, Bogomyakov Artem, Yu Aixia, Sugisaki Kenji, Sato Kazunobu, Takui Takeji, Bagryanskaya Elena, Mazhukin Dmitrii

JOURNAL OF PHYSICAL CHEMISTRY A   124 ( 12 )   2416 - 2426   2020年03月（ ISSN:1089-5639 ）

Redox-Induced Modulation of Exchange Interaction in a High-Spin Ground-State Diradical/Triradical System 査読

Nagata Atsuki, Hiraoka Shinsuke, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Tanaka Rika, Okada Keiji

CHEMISTRY-A EUROPEAN JOURNAL   26 ( 14 )   3166 - 3172   2020年03月（ ISSN:0947-6539 ）

Synthesis of Trioxotriangulene Stable Neutral pi-Radicals Having Alkyl Substituent Groups, and Their Effects on Electronic-spin and pi-Stacking Structures 査読

Murata Tsuyoshi, Yokoyama Masaaki, Ueda Akira, Kanzaki Yuki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Morita Yasushi

公益社団法人 日本化学会　CHEMISTRY LETTERS   49 ( 1 )   95 - 98   2020年01月（ ISSN:0366-7022 ）

Trioxotriangulene with carbazole: a donor-acceptor molecule showing strong near-infrared absorption exceeding 1000 nm 査読

Murata Tsuyoshi, Kariyazono Kazuki, Ukai Shusaku, Ueda Akira, Kanzaki Yuki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Morita Yasushi

ORGANIC CHEMISTRY FRONTIERS   6 ( 17 )   3107 - 3115   2019年09月（ ISSN:2052-4129 ）

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 査読 国際共著

Sato Kazunobu, Hirao Rei, Timofeev Ivan, Krumkacheva Olesya, Zaytseva Elena, Rogozhnikova Olga, Tormyshev Victor M., Trukhin Dmitry, Bagryanskaya Elena, Gutmann Torsten, Klimavicius Cyvytautas, Buntkowsky Gerd, Sugisaki Kenji, Nakazawa Shigeaki, Matsuoka Hideto, Toyota Kazuo, Shiomi Daisuke, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY A   123 ( 34 )   7507 - 7517   2019年08月（ ISSN:1089-5639 ）

Quantum chemistry on quantum computers: quantum simulations of the time evolution of wave functions under the S-2 operator and determination of the spin quantum number S 査読

Sugisaki Kenji, Nakazawa Shigeaki, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   21 ( 28 )   15356 - 15361   2019年07月（ ISSN:1463-9076 ）

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 査読

Konishi Akihito, Horii Koki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Yasuda Makoto

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   141 ( 26 )   10165 - 10170   2019年07月（ ISSN:0002-7863 ）

Triplet Diradical-Cation Salts Consisting of the Phenothiazine Radical Cation and a Nitronyl Nitroxide 査読

Tahara Takuma, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sugisaki Kenji, Sato Kazunobu, Takui Takeji, Miyake Yota, Hosokoshi Yuko, Nojiri Hiroyuki, Okada Keiji

CHEMISTRY-A EUROPEAN JOURNAL   25 ( 29 )   7201 - 7209   2019年05月（ ISSN:0947-6539 ）

Synthesis and Magnetic Properties of (Pyrrolidin-1-oxyl)-(Nitronyl Nitroxide)/(Iminonitroxide)-Dyads 査読

Tsujimoto Haruki, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Okada Keiji

CHEMISTRY-AN ASIAN JOURNAL   14 ( 10 )   1801 - 1806   2019年05月（ ISSN:1861-4728 ）

Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree-Fock Calculations 査読

Sugisaki Kenji, Nakazawa Shigeaki, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

ACS CENTRAL SCIENCE   5 ( 1 )   167 - 175   2019年01月（ ISSN:2374-7943 ）

Microscopic Behavior of Active Materials Inside a TCNQ-Based Lithium-Ion Rechargeable Battery by in Situ 2D ESR Measurements 査読

Kanzaki Yuki, Mitani Satoshi, Shiomi Daisuke, Morita Yasushi, Takui Takeji, Sato Kazunobu

ACS APPLIED MATERIALS & INTERFACES   10 ( 50 )   43631 - 43640   2018年12月（ ISSN:1944-8244 ）

ESR analyses of picket fence Mn-II and 6th ligand coordinated Fe-III porphyrins (S=5/2) and a Co-II(hfac) complex (S=3/2) with sizable ZFS parameters revisited: a full spin Hamiltonian approach and quantum chemical calculations 査読

Yamane Takeshi, Sugisaki Kenji, Matsuoka Hideto, Sato Kazunobu, Toyota Kazuo, Shiomi Daisuke, Takui Takeji

DALTON TRANSACTIONS   47 ( 46 )   16429 - 16444   2018年12月（ ISSN:1477-9226 ）

Radical Cation pi-Dimers of Conjugated Oligomers as Molecular Wires: An Analysis Based on Nitronyl Nitroxide Spin Labels 査読

Nishinaga Tohru, Kanzaki Yuki, Shiomi Daisuke, Matsuda Kenji, Suzuki Shuichi, Okada Keiji

CHEMISTRY-A EUROPEAN JOURNAL   24 ( 45 )   11717 - 11728   2018年08月（ ISSN:0947-6539 ）

Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, M-III(acac)(3) (M = V, Cr, Mn, Fe and Mo) 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 44 )   30128 - 30138   2017年11月（ ISSN:1463-9076 ）

(Azulene-1,3-diyl)-bis(nitronyl nitroxide) and (Azulene-1,3-diyl)-bis(iminonitroxide) and Their Copper Complexes 査読

Haraguchi Makoto, Tretyakov Evgeny, Gritsan Nina, Romanenko Galina, Gorbunov Dmitry, Bogomyakov Artem, Maryunina Kseniya, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Nishihara Sadafumi, Inoue Katsuya, Okada Keiji

CHEMISTRY-AN ASIAN JOURNAL   12 ( 22 )   2929 - 2941   2017年11月（ ISSN:1861-4728 ）

Synthesis and Magnetic Properties of Trioxytriphenylamine Dimers in their Di(radical cationic) States 査読

Suzuki Shuichi, Tanaka Nobuaki, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Okada Keiji

CHEMISTRY-A EUROPEAN JOURNAL   23 ( 63 )   16014 - 16025   2017年11月（ ISSN:0947-6539 ）

Analyses of sizable ZFS and magnetic tensors of high spin metallocomplexes 査読 国際共著

Yamane Takeshi, Sugisaki Kenji, Nakagawa Tomoki, Matsuoka Hideto, Nishio Takahisa, Kinjyo Shigemori, Mori Nobuyuki, Yokoyama Satoshi, Kawashima Chika, Yokokura Naoki, Sato Kazunobu, Kanzaki Yuki, Shiomi Daisuke, Toyota Kazuo, Dolphin David H., Lin Wei-Ching, McDowell Charles A., Tadokoro Makoto, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 36 )   24769 - 24791   2017年09月（ ISSN:1463-9076 ）

Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of pi Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids 査読

Miyoshi Hirokazu, Miki Masahito, Hirano Shintaro, Shimizu Akihiro, Kishi Ryohei, Fukuda Kotaro, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Hisaki Ichiro, Nakano Masayoshi, Tobe Yoshito

JOURNAL OF ORGANIC CHEMISTRY   82 ( 3 )   1380 - 1388   2017年02月（ ISSN:0022-3263 ）

Structural Determination of a DNA Oligomer for a Molecular Spin Qubit Lloyd Model of Quantum Computers 査読

Yamamoto Satoru, Nakazawa Shigeaki, Sugisaki Kenji, Maekawa Kensuke, Sato Kazunobu, Toyota Kazuo, Shiomi Daisuke, Takui Takeji

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS   231 ( 2 )   439 - 458   2017年02月（ ISSN:0942-9352 ）

Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin-Orbit Term of Zero-Field Splitting Tensors 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY A   120 ( 49 )   9857 - 9866   2016年12月（ ISSN:1089-5639 ）

Cyclic Triradicals Composed of Iminonitroxide-Gold(I) with Intramolecular Ferromagnetic Interactions 査読

Suzuki Shuich, Wada Tomoyuki, Tanimoto Ryu, Kozaki Masatoshi, Shiomi Daisuke, Sugisaki Kenji, Sato Kazunobu, Takui Takeji, Miyake Yota, Hosokoshi Yuko, Okada Keiji

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   55 ( 36 )   10791 - 10794   2016年08月（ ISSN:1433-7851 ）

Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open Shell Molecules 査読

Sugisaki Kenji, Yamamoto Satoru, Nakazawa Shigeaki, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY A   120 ( 32 )   6459 - 6466   2016年08月（ ISSN:1089-5639 ）

Adiabatic quantum computing with spin qubits hosted by molecules 査読

Yamamoto Satoru, Nakazawa Shigeaki, Sugisaki Kenji, Sato Kazunobu, Toyota Kazuo, Shiomi Daisuke, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   17 ( 4 )   2742 - 2749   2015年01月（ ISSN:1463-9076 ）

Synthesis and Properties of a Bis[(nitronyl nitroxide)-2-ide radical anion]-Palladium Complex 査読

Suzuki Shuichi, Yokoi Hiroyuki, Kozaki Masatoshi, Kanzaki Yuki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Okada Keiji

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY   ( 28 )   4740 - 4744   2014年10月（ ISSN:1434-1948 ）

Synthesis and Magnetic Properties of Nitronyl Nitroxides with an Adjacent Chiral Group 査読

Tanimoto Ryu, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Okada Keiji

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN   87 ( 2 )   314 - 322   2014年02月（ ISSN:0009-2673 ）

Preparation and Magnetic Properties of Metal-Complexes from N-t-Butyl-N-oxidanyl-2-amino-(nitronyl nitroxide) 査読

Furui Takanori, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Okada Keiji, Tretyakov Evgeny V., Tolstikov Svyatoslav E., Romanenko Galina V., Ovcharenko Victor I.

INORGANIC CHEMISTRY   53 ( 2 )   802 - 809   2014年01月（ ISSN:0020-1669 ）

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 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   16 ( 19 )   9171 - 9181   2014年（ ISSN:1463-9076 ）

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 査読

Ayabe Kazuki, Sato Kazunobu, Nakazawa Shigeaki, Nishida Shinsuke, Sugisaki Kenji, Ise Tomoaki, Morita Yasushi, Toyota Kazuo, Shiomi Daisuke, Kitagawa Masahiro, Suzuki Shuichi, Okada Keiji, Takui Takeji

MOLECULAR PHYSICS   111 ( 18-19 )   2767 - 2787   2013年10月（ ISSN:0026-8976 ）

Control of Exchange Interactions in pi Dimers of 6-Oxophenalenoxyl Neutral pi Radicals: Spin-Density Distributions and Multicentered-Two-Electron Bonding Governed by Topological Symmetry and Substitution at the 8-Position 査読

Nishida Shinsuke, Kawai Junya, Moriguchi Miki, Ohba Tomohiro, Haneda Naoki, Fukui Kozo, Fuyuhiro Akira, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Nakasuji Kazuhiro, Morita Yasushi

CHEMISTRY-A EUROPEAN JOURNAL   19 ( 36 )   11904 - 11915   2013年09月（ ISSN:0947-6539 ）

Indeno[2,1-b]fluorene: A 20-pi-Electron Hydrocarbon with Very Low-Energy Light Absorption 査読

Shimizu Akihiro, Kishi Ryohei, Nakano Masayoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Hisaki Ichiro, Miyata Mikiji, Tobe Yoshito

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   52 ( 23 )   6076 - 6079   2013年（ ISSN:1433-7851 ）

An Extremely Redox-Active Air-Stable Neutral p Radical: Dicyanomethylene-Substituted Triangulene with a Threefold Symmetry 査読

Ueda Akira, Wasa Hideki, Nishida Shinsuke, Kanzaki Yuki, Sato Kazunobu, Shiomi Daisuke, Takui Takeji, Morita Yasushi

CHEMISTRY-A EUROPEAN JOURNAL   18 ( 51 )   16272 - 16276   2012年12月（ ISSN:0947-6539 ）

(Nitronyl Nitroxide)-Substituted Trioxytriphenylamine Radical Cation Tetrachlorogallate Salt: A 2p-Electron-Based Weak Ferromagnet Composed of a Triplet Diradical Cation 査読

Kuratsu Masato, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Kanzawa Tsuneki, Hosokoshi Yuko, Lan Xiao-Zheng, Miyazaki Yuji, Inaba Akira, Okada Keiji

CHEMISTRY-AN ASIAN JOURNAL   7 ( 7 )   1604 - 1609   2012年06月（ ISSN:1861-4728 ）

Biradical Paradox Revisited Quantitatively: A Theoretical Model for Self-Associated Biradical Molecules as Antiferromagnetically Exchange Coupled Spin Chains in Solution 査読

Kanzaki Yuki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY B   116 ( 3 )   1053 - 1059   2012年01月（ ISSN:1520-6106 ）

Tandem Arrays of TEMPO and Nitronyl Nitroxide Radicals with Designed Arrangements on DNA 査読

Atsumi Hiroshi, Maekawa Kensuke, Nakazawa Shigeaki, Shiomi Daisuke, Sato Kazunobu, Kitagawa Masahiro, Takui Takeji, Nakatani Kazuhiko

CHEMISTRY-A EUROPEAN JOURNAL   18 ( 1 )   178 - 183   2012年01月（ ISSN:0947-6539 ）

A Synthetic Two-Spin Quantum Bit: g-Engineered Exchange-Coupled Biradical Designed for Controlled-NOT Gate Operations 査読 国際共著

Nakazawa Shigeaki, Nishida Shinsuke, Ise Tomoaki, Yoshino Tomohiro, Mori Nobuyuki, Rahimi Robabeh D., Sato Kazunobu, Morita Yasushi, Toyota Kazuo, Shiomi Daisuke, Kitagawa Masahiro, Hara Hideyuki, Carl Patrick, Hoefer Peter, Takui Takeji

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   51 ( 39 )   9860 - 9864   2012年（ ISSN:1433-7851 ）

Pulsed electron spin nutation spectroscopy of weakly exchange-coupled biradicals: a general theoretical approach and determination of the spin dipolar interaction 査読

Ayabe Kazuki, Sato Kazunobu, Nishida Shinsuke, Ise Tomoaki, Nakazawa Shigeaki, Sugisaki Kenji, Morita Yasushi, Toyota Kazuo, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   14 ( 25 )   9137 - 9148   2012年（ ISSN:1463-9076 ）

Trinitroxide-Trioxytriphenylamine: Spin-State Conversion from Triradical Doublet to Diradical Cation Triplet by Oxidative Modulation of a p-Conjugated System 査読

Suzuki Shuichi, Nagata Atsuki, Kuratsu Masato, Kozaki Masatoshi, Tanaka Rika, Shiomi Daisuke, Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Takui Takeji, Okada Keiji

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   51 ( 13 )   3193 - 3197   2012年（ ISSN:1433-7851 ）

An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals 査読

Shiomi Daisuke, Kanzaki Yuld, Okada Sho, Arima Ryosuke, Miyazaki Yuji, Inaba Akira, Tanaka Rika, Sato Kazunobu, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY LETTERS   2 ( 24 )   3036 - 3039   2011年12月（ ISSN:1948-7185 ）

Intramolecular Hydrogen Bonding in Calix[4]arene-Based Nitroxide Monoradical and Biradical as Studied by CW-ESR and Pulse-ESR HYSCORE Spectroscopy 査読

Sawai Takatoshi, Sato Kazunobu, Shiomi Daisuke, Toyota Kazuo, Wang Qi, Wang Jia-Song, Li Yong, Wu Guo-Shi, Takui Takeji

APPLIED MAGNETIC RESONANCE   41 ( 2-4 )   337 - 352   2011年12月（ ISSN:0937-9347 ）

Spin Enhancement by Grinding of Cu-TANC Coordination Polymer Crystals Showing d-pi Interactions 査読

Tadokoro Makoto, Nakamura Masaharu, Anai Takehiro, Shinoda Takumi, Yamagata Akio, Kawabe Yu, Sato Kazunobu, Shiomi Daisuke, Takui Takeji, Isoda Kyosuke

CHEMPHYSCHEM   12 ( 14 )   2561 - 2564   2011年10月（ ISSN:1439-4235 ）

Solution-Stable Triple Helicates of Quaterimidazole: Three-Dimensional Crystal Structures and Optical Resolution by Chiral-Column HPLC 査読

Yakiyama Yumi, Murata Tsuyoshi, Ise Tomoaki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Nakasuji Kazuhiro, Morita Yasushi

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY   ( 23 )   3438 - 3445   2011年08月（ ISSN:1434-1948 ）

ESR and H-1-, F-19-ENDOR/TRIPLE Study of Fluorinated Diphenylnitroxides as Synthetic Bus Spin-Qubit Radicals with Client Qubits in Solution 査読

Yoshino Tomohiro, Nishida Shinsuke, Sato Kazunobu, Nakazawa Shigeaki, Rahimi Robabeh D., Toyota Kazuo, Shiomi Daisuke, Morita Yasushi, Kitagawa Masahiro, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY LETTERS   2 ( 5 )   449 - 453   2011年03月（ ISSN:1948-7185 ）

Synthesis and Magnetic Properties of Dimethylmethylenebis(iminonitroxide) Diradical 査読

SUZUKI Shuichi, ITOH Noriyuki, FURUICHI Kimiaki, KOZAKI Masatoshi, SHIOMI Daisuke, SATO Kazunobu, TAKUI Takeji, OHI Hiromi, ITOH Shinobu, OKADA Keiji

Chemistry letters   40 ( 1 )   22 - 24   2011年01月（ ISSN:03667022 ）

Organic polyanionic high-spin molecular clusters: topological-symmetry controlled models for organic ferromagnetic metals 査読 国際共著

Nakazawa Shigeaki, Sato Kazunobu, Shiomi Daisuke, Yano Masafumi, Kinoshita Takamasa, Franco Maria Luisa T. M. B., Lazana Maria Celina R. L. R., Shohoji Maria Candida B. L., Itohy Koichi, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   13 ( 4 )   1424 - 1433   2011年（ ISSN:1463-9076 ）

Ab initio and DFT studies of the spin-orbit and spin-spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   13 ( 15 )   6970 - 6980   2011年（ ISSN:1463-9076 ）

Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide 査読

Suzuki Shuichi, Furui Takanori, Kuratsu Masato, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Okada Keiji

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   132 ( 45 )   15908 - 15910   2010年11月（ ISSN:0002-7863 ）

Alternating Covalent Bonding Interactions in a One-Dimensional Chain of a Phenalenyl-Based Singlet Biradical Molecule Having Kekule Structures 査読

Shimizu Akihiro, Kubo Takashi, Uruichi Mikio, Yakushi Kyuya, Nakano Masayoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Hirao Yasukazu, Matsumoto Kouzou, Kurata Hiroyuki, Morita Yasushi, Nakasuji Kazuhiro

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   132 ( 41 )   14421 - 14428   2010年10月（ ISSN:0002-7863 ）

Spin-Orbit Contributions in High-Spin Nitrenes/Carbenes: A Hybrid CASSCF/MRMP2 Study of Zero-Field Splitting Tensors 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji

CHEMPHYSCHEM   11 ( 14 )   3146 - 3151   2010年10月（ ISSN:1439-4235 ）

Synthesis and Characterization of Teranthene: A Singlet Biradical Polycyclic Aromatic Hydrocarbon Having Kekule Structures 査読

Konishi Akihito, Hirao Yasukazu, Nakano Masayoshi, Shimizu Akihiro, Botek Edith, Champagne Benoit, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Matsumoto Kouzou, Kurata Hiroyuki, Kubo Takashi

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   132 ( 32 )   11021 - 11023   2010年08月（ ISSN:0002-7863 ）

Noncovalent Assembly of TEMPO Radicals Pair-wise Embedded on a DNA Duplex 査読

Atsumi Hiroshi, Maekawa Kensuke, Nakazawa Shigeaki, Shiomi Daisuke, Sato Kazunobu, Kitagawa Masahiro, Takui Takeji, Nakatani Kazuhiko

CHEMISTRY LETTERS   39 ( 6 )   556 - 557   2010年06月（ ISSN:0366-7022 ）

Triple-Stranded Metallo-Helicates Addressable as Lloyd's Electron Spin Qubits 査読

Morita Yasushi, Yakiyama Yumi, Nakazawa Shigeaki, Murata Tsuyoshi, Ise Tomoak, Hashizume Daisuke, Shiomi Daisuke, Sato Kazunobu, Kitagawa Masahiro, Nakasuji Kazuhiro, Takui Takeji

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   132 ( 20 )   6944 - 6946   2010年05月（ ISSN:0002-7863 ）

High-Spin Nitrene Fine-Structure ESR Spectroscopy in Frozen Rigid Glasses: Exact Analytical Expressions for the Canonical Peaks and A D-Tensor Gradient Method for Line Broadening 査読 国際共著

Koto Teruaki, Sugisaki Kenji, Sato Kazunobu, Shiomi Daisuke, Toyota Kazuo, Itoh Koichi, Wasserman Edel, Lahti Paul M., Takui Takeji

APPLIED MAGNETIC RESONANCE   37 ( 1-4 )   703 - 736   2010年01月（ ISSN:0937-9347 ）

Programmed assembly of organic radicals on DNA 査読

Maekawa Kensuke, Nakazawa Shigeaki, Atsumi Hiroshi, Shiomi Daisuke, Sato Kazunobu, Kitagawa Masahiro, Takui Takeji, Nakatani Kazuhiko

CHEMICAL COMMUNICATIONS   46 ( 8 )   1247 - 1249   2010年（ ISSN:1359-7345 ）

Diaminotriazine-substituted nitronyl nitroxide: a novel building block for organic magnets having multiple hydrogen bonding substituents as structure-determining supramolecular synthons 査読

Tanaka Hiroyuki, Shiomi Daisuke, Suzuki Shuichi, Kozaki Masatoshi, Okada Keiji, Sato Kazunobu, Takui Takeji

CRYSTENGCOMM   12 ( 2 )   526 - 531   2010年（ ISSN:1466-8033 ）

Three-Dimensional Intramolecular Exchange Interaction in a Curved and Nonalternant pi-Conjugated System: Corannulene with Two Phenoxyl Radicals 査読

Ueda Akira, Nishida Shinsuke, Fukui Kozo, Ise Tomoaki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Nakasuji Kazuhiro, Morita Yasushi

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   49 ( 9 )   1678 - 1682   2010年（ ISSN:1433-7851 ）

Random-Orientation High-Spin Electron Spin Resonance Spectroscopy and Comprehensive Spectral Analyses of the Quintet Dicarbene and Dinitrene with meta-Topological Linkers: Origins of Peculiar Line-Broadening in Fine-Structure ESR Spectra in Organic Rigid Glasses 査読 国際共著

Koto Teruaki, Sato Kazunobu, Shiomi Daisuke, Toyota Kazuo, Itoh Koichi, Wasserman Edel, Takui Takeji

JOURNAL OF PHYSICAL CHEMISTRY A   113 ( 34 )   9521 - 9526   2009年08月（ ISSN:1089-5639 ）

Ab initio calculations of spin-orbit contribution to the zero-field splitting tensors of n pi* excited states by the CASSCF method with MRMP2 energy correction 査読

Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji

CHEMICAL PHYSICS LETTERS   477 ( 4-6 )   369 - 373   2009年08月（ ISSN:0009-2614 ）

Pyrene-Dihydrophenazine Bis(Radical Cation) in a Singlet Ground State 査読

Suzuki Shuichi, Takeda Takuma, Kuratsu Masato, Kozaki Masatoshi, Sato Kazunobu, Shiomi Daisuke, Takui Takeji, Okada Keiji

ORGANIC LETTERS   11 ( 13 )   2816 - 2818   2009年07月（ ISSN:1523-7060 ）

A New Ferrimagnet Based on a Radical-Substituted Radical Cation Salt 査読

Masuda Yuki, Kuratsu Masato, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Hosokoshi Yuko, Lan Xiao-Zheng, Miyazaki Yuji, Inaba Akira, Okada Keiji

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   131 ( 13 )   4670 - 4673   2009年04月（ ISSN:0002-7863 ）

Molecular electron-spin quantum computers and quantum information processing: pulse-based electron magnetic resonance spin technology applied to matter spin-qubits 査読

Sato Kazunobu, Nakazawa Shigeaki, Rahimi Robabeh, Ise Tomoaki, Nishida Shinsuke, Yoshino Tomohiro, Mori Nobuyuki, Toyota Kazuo, Shiomi Daisuke, Yakiyama Yumi, Morita Yasushi, Kitagawa Masahiro, Nakasuji Kazuhiro, Nakahara Mikio, Hara Hideyuki, Carl Patrick, Hoefer Peter, Takui Takeji

JOURNAL OF MATERIALS CHEMISTRY   19 ( 22 )   3739 - 3754   2009年（ ISSN:0959-9428 ）

Electronic and molecular structures of C-60-based polyanionic high-spin molecular clusters: Direct spin identification and electron spin transient nutation spectroscopy for high-spin chemistry 査読 国際共著

Nakazawa Shigeaki, Sato Kazunobu, Shiomi Daisuke, Franco M. Luisa T. M. B., Lazana M. Celina R. L. R., Shohoji M. Candida B. L., Itoh Koichi, Takui Takeji

INORGANICA CHIMICA ACTA   361 ( 14-15 )   4031 - 4037   2008年10月（ ISSN:0020-1693 ）

Thermochromism in an organic crystal based on the coexistence of sigma- and pi-dimers 査読

Morita Yasushi, Suzuki Shuichi, Fukui Kozo, Nakazawa Shigeaki, Kitagawa Hiroshi, Kishida Hideo, Okamoto Hiroshi, Naito Akira, Sekine Akiko, Ohashi Yuji, Shiro Motoo, Sasaki Katsunari, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Nakasuji Kazuhiro

NATURE MATERIALS   7 ( 1 )   48 - 51   2008年01月（ ISSN:1476-1122 ）

Macrocyclic high-spin (S=2) molecule: Spin identification of a sterically rigid metacyclophane-based nitroxide tetraradical by two-dimensional electron spin transient nutation spectroscopy 査読

Sawai Takatoshi, Sato Kazunobu, Ise Tomoaki, Shiomi Daisuke, Toyota Kazuo, Morita Yasushi, Takui Takeji

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   47 ( 21 )   3988 - 3990   2008年（ ISSN:1433-7851 ）

Curved aromaticity of a corannulene-based neutral radical: Crystal structure and 3D unbalanced delocalization of spin 査読

Morita Yasushi, Ueda Akira, Nishida Shinsuke, Fukui Kozo, Ise Tomoaki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Nakasuji Kazuhiro

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   47 ( 11 )   2035 - 2038   2008年（ ISSN:1433-7851 ）

Magnetic interaction of tri- and di-oxytriphenylamine radical cation FeCI4 salts 査読

Kuratsu Masato, Suzuki Shuichi, Kozaki Masatoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Okada Keiji

INORGANIC CHEMISTRY   46 ( 24 )   10153 - 10157   2007年11月（ ISSN:0020-1669 ）

A guanine-substituted nitronyl nitroxide radical forming a one-dimensional ferromagnetic chain 査読

Maekawa Kensuke, Shiomi Daisuke, Ise Tomoaki, Sato Kazunobu, Takui Takeji

ORGANIC & BIOMOLECULAR CHEMISTRY   5 ( 10 )   1641 - 1645   2007年05月（ ISSN:1477-0520 ）

Singlet biradical character of phenalenyl-based Kekule hydrocarbon with naphthoquinoid structure 査読

Kubo Takashi, Shimizu Akihiro, Uruichi Mikio, Yakushi Kyuya, Nakano Masayoshi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Morita Yasushi, Nakasuji Kazuhiro

ORGANIC LETTERS   9 ( 1 )   81 - 84   2007年01月（ ISSN:1523-7060 ）

Preparation, structure, and magnetic interaction of a Mn(hfac)(2)-bridged [2-(3-pyridyl)(nitronyl nitroxide)-Mn(hfac)(2)](2) chain complex 査読

Okada Keiji, Beppu Shiori, Tanaka Koichiro, Kuratsu Masato, Furuichi Kimiaki, Kozaki Masatoshi, Suzuki Shuichi, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Kitagawa Yasutaka, Yamaguchi Kizashi

CHEMICAL COMMUNICATIONS   ( 24 )   2485 - 2487   2007年（ ISSN:1359-7345 ）

Cytosine-guanine base pairing in a hydrogen-bonded complex of stable open-shell molecules with S=1 spins 査読

Tanaka Hiroyuki, Shiomi Daisuke, Ise Tomoaki, Sato Kazunobu, Takui Takeji

CRYSTENGCOMM   9 ( 9 )   767 - 771   2007年（ ISSN:1466-8033 ）

Zwitterionic pi-radical involving EDT-TTF-imidazole and F(4)TCNQ: redox properties and self-assembled structure by hydrogen-bonds and multiple S center dot center dot center dot S interactions 査読

Murata Tsuyoshi, Morita Yasushi, Yakiyama Yumi, Nishimura Yoshie, Ise Tomoaki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Nakasuji Kazuhiro

CHEMICAL COMMUNICATIONS   ( 39 )   4009 - 4011   2007年（ ISSN:1359-7345 ）

One-electron reduction of kinetically stabilized dipnictenes: Synthesis of dipnictene anion radicals 査読

Sasamori Takahiro, Mieda Eiko, Nagahora Noriyoshi, Sato Kazunobu, Shiomi Daisuke, Takui Takeji, Hosoi Yoshinobu, Furukawa Yukio, Takagi Nozomi, Nagase Shigeru, Tokitoh Norihiro

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   128 ( 38 )   12582 - 12588   2006年09月（ ISSN:0002-7863 ）

Multidimensional networks of pi-conjugated oligomers: Crystal structures of 4,4 ': 2 ',2 '': 4 '',4 '''-quaterimidazole in hydrate, protonated salt, and dinucleic copper complexes 査読

Murata T, Morita Y, Fukui K, Yakiyama Y, Sato K, Shiomi D, Takui T, Nakasuji K

CRYSTAL GROWTH & DESIGN   6 ( 4 )   1043 - 1047   2006年04月（ ISSN:1528-7483 ）

Aromaticity on the pancake-bonded dimer of neutral phenalenyl radical as studied by MS and NMR spectroscopies and NICS analysis 査読

Suzuki S, Morita Y, Fukui K, Sato K, Shiomi D, Takui T, Nakasuji K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   128 ( 8 )   2530 - 2531   2006年03月（ ISSN:0002-7863 ）

Experimental evidence for the triplet-like spin state appearing in ground-state singlet biradicals as a key feature for generalized ferrimagnetic spin alignment 査読

Maekawa K, Shiomi D, Ise T, Sato K, Takui T

JOURNAL OF PHYSICAL CHEMISTRY B   110 ( 5 )   2102 - 2107   2006年02月（ ISSN:1520-6106 ）

Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks 査読

Kanzaki Y, Shiomi D, Kaneda C, Ise T, Sato K, Takui T

JOURNAL OF MATERIALS CHEMISTRY   16 ( 21 )   2064 - 2073   2006年（ ISSN:0959-9428 ）

Ab initio MO analysis of the excited electronic states of high-spin quintet 2-methylphenylene-1,3-dinitrene 査読

Sugisaki K, Toyota K, Sato K, Shiomi D, Takui T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   45 ( 14 )   2257 - 2260   2006年（ ISSN:1433-7851 ）

A high-conductivity crystal containing a copper(I) coordination polymer bridged by the organic acceptor TANC 査読

Tadokoro Makoto, Yasuzuka Syuma, Nakamura Masaharu, Shinoda Takumi, Tatenuma Toshinori, Mitsumi Minoru, Ozawa Yoshiki, Toriumi Koshiro, Yoshino Harukazu, Shiomi Daisuke, Sato Kazunobu, Takui Takeji, Mori Takehiko, Murata Keizo

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   45 ( 31 )   5144 - 5147   2006年（ ISSN:1433-7851 ）

Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S=1) ground state lasting out N-methylation 査読

Hayakawa Kenichi, Shiomi Daisuke, Ise Tomoaki, Sato Kazunobu, Takui Takeji

JOURNAL OF MATERIALS CHEMISTRY   16 ( 42 )   4146 - 4154   2006年（ ISSN:0959-9428 ）

Watson-Crick pairing of nucleobases functionalized with open-shell molecular entities in crystalline solids 査読

Ise Tomoaki, Shiomi Daisuke, Sato Kazunobu, Takui Takeji

CHEMICAL COMMUNICATIONS   ( 46 )   4832 - 4834   2006年（ ISSN:1359-7345 ）

Exchange interaction of 5,5 '-(m- and p-phenylene)bis(10-phenyl-5,10-dihydrophenazine) dications and related analogues 査読

Terada E, Okamoto T, Kozaki M, Masaki ME, Shiomi D, Sato K, Takui T, Okada K

JOURNAL OF ORGANIC CHEMISTRY   70 ( 24 )   10073 - 10081   2005年11月（ ISSN:0022-3263 ）

Hexaazaphenalenyl anion revisited: A highly symmetric planar pi system with multiple-networking ability for self-assembled metal complexation 査読

Suzuki S, Morita Y, Fukui K, Sato K, Shiomi D, Takui T, Nakasuji K

INORGANIC CHEMISTRY   44 ( 23 )   8197 - 8199   2005年11月（ ISSN:0020-1669 ）

Syntheses, crystal structures, and magnetic properties of nitronyl nitroxide triradicals composed of ground-state singlet biradicals and monoradicals: Molecular spin clusters in the crystal 査読

Ise T, Shiomi D, Sato K, Takui T

CHEMISTRY OF MATERIALS   17 ( 17 )   4486 - 4492   2005年08月（ ISSN:0897-4756 ）

Theoretical study on spin alignments in ferromagnetic heterospin chains with competing exchange interactions: A generalized ferrimagnetic system containing organic biradicals in the singlet ground state 査読

Maekawa K, Shiomi D, Ise T, Sato K, Takui T

JOURNAL OF PHYSICAL CHEMISTRY B   109 ( 19 )   9299 - 9304   2005年05月（ ISSN:1520-6106 ）

Hydrogen-bonded networks in organic conductors: Crystal structures and electronic properties of charge-transfer salts of tetracyanoquinodimethane with 4,4 '-biimidazolium having multiprotonated states 査読

Morita Y, Murata T, Fukui K, Yamada S, Sato K, Shiomi D, Takui T, Kitagawa H, Yamochi H, Saito G, Nakasuji K

JOURNAL OF ORGANIC CHEMISTRY   70 ( 7 )   2739 - 2744   2005年04月（ ISSN:0022-3263 ）

Exchange interaction in covalently bonded biradical-monoradical composite molecules 査読

Maekawa K, Shiomi D, Ise T, Sato K, Takui T

JOURNAL OF PHYSICAL CHEMISTRY B   109 ( 8 )   3303 - 3309   2005年03月（ ISSN:1520-6106 ）

Magnetic Phase Transition in a Heteromolecular Hydrogen-Bonded Complex of Nitronylnitroxide Radicals

K. Hayakawa, D. Shiomi, T. Ise, K. Sato, and T. Takui

JOURNAL OF PHYSICAL CHEMISTRY B   109   9195 - 9197   2005年

Spin transfer and solvato-/thermochromism induced by intramolecular electron transfer in a purely organic open-shell system 査読

Nishida S, Morita Y, Fakui K, Sato K, Shiomi D, Takui T, Nakasuji K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   44 ( 44 )   7277 - 7280   2005年（ ISSN:1433-7851 ）

Synthesis, intermolecular interaction, and semiconductive behavior of a delocalized singlet biradical hydrocarbon 査読

Kubo T, Shimizu A, Sakamoto M, Uruichi M, Yakushi K, Nakano M, Shiomi D, Sato K, Takui T, Morita Y, Nakasuji K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   44 ( 40 )   6564 - 6568   2005年（ ISSN:1433-7851 ）

Magnetic Ordering in a Genuine Organic Crystal of Triangular Antiferromagnetic Spin Units 査読

K. Takeda, Y. Yoshida, Y. Inanaga, T. Kawae, D. Shiomi, T. Ise, M. Kozaki, K. Okada, K. Sato, and T.

Physical Review B   72   24435   2005年

The first metal complexes of 4,4 '-biimidazole and 4,4 '-biimidazolate with hydrogen-bonding networks on the Cu(II) complexes: 1-D structures by N-H center dot center dot center dot X center dot center dot center dot H-N hydrogen-bonding 査読

Morita Y, Murata T, Fukui K, Tadokoro M, Sato K, Shiomi D, Takui T, Nakasuji K

CHEMISTRY LETTERS   33 ( 2 )   188 - 189   2004年02月（ ISSN:0366-7022 ）

A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation 査読

S. Hiraoka, T. Okamoto, M. Kozaki, D. Shiomi, K. Sato, T. Takui, and K. Okada

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   126   58 - 59   2004年

A Purely Organic Molecular Metal Based on a Hydrogen-Bonded Charge-Transfer Complex: Crystal Structure and Electronic Properties of TTF-Imidazole-p-Chloranil 査読

T. Murata, Y. Morita, K. Fukui, K. Sato, D. Shiomi, T. Takui, M. Maesato, H. Yamochi, G. Saito, and K. Nakasuji

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   43   6343 - 6346   2004年

Stable Iminonitroxide Biradical in the Triplet Ground State 査読

K. Hayakawa, D. Shiomi, T. Ise, K. Sato, and T. Takui

CHEMISTRY LETTERS   33   1494 - 1495   2004年

Multifrequency EPR Study of Metallofullerenes: Eu@C82 and Eu@C74 査読

H. Matsuoka, N. Ozawa, T. Kodama, H. Nishikawa, I. Ikemoto, K. Kikuchi, K. Furukawa, K. Sato, D. Shiomi, T. Takui, and T. Kato

Journal of Physical Chemistry B   108   13972 - 13976   2004年

The First Bowl-Shaped Stable Neutral Radical with a Corannulene System: Synthesis and Characterization of the Electronic Structure 査読

Y. Morita, S. Nishida, T. Kobayashi, K. Fukui, K. Sato, D. Shiomi, T. Takui, and K. Nakasuji

ORGANIC LETTERS   6   1397 - 1400   2004年

Cytosine-Substituted Nitronylnitroxide Radical: A Key Component for Bio-Inspired Molecule-Based Magnetics 査読

D. Shiomi, M. Nozaki, T. Ise, K. Sato, and T. Takui

Journal of Physical Chemistry B   108   16606 - 16608   2004年

2-D electron spin transient nutation spectroscopy of lanthanoid ion Eu2+(S-8(7/2)) in a CaF2 single crystal on the basis of FT-pulsed electron spin resonance spectroscopy: Transition moment spectroscopy 査読

Matsuoka H, Sato K, Shiomi D, Takui T

APPLIED MAGNETIC RESONANCE   23 ( 3-4 )   517 - 538   2003年（ ISSN:0937-9347 ）

Hyperfine Structure of ESR Spectra as a Probe for Heisenberg Exchange Couplings in Nitroxide Triradicals Serving as Building Blocks for Molecule-Based Ferrimagnets 査読

D. Shiomi, C. Kaneda, T. Kanaya, K. Sato, and T. Takui

APPLIED MAGNETIC RESONANCE   23   495 - 506   2003年

Importance of Fourth-Order Zero-Field Splitting Terms in Random-Orientation EPR Spectra of Eu(II)-Doped Strontium Aluminate 査読

H. Matsuoka, K. Furukawa, K. Sato, D. Shiomi, Y. Kojima, K. Hirotsu, N. Furuno, T. Kato, and T. Taku

JOURNAL OF PHYSICAL CHEMISTRY A   107   11539 - 11546   2003年

Magnetic Properties and Structures of the alpha- and gamma-Phases of p-NPNN 査読

M. Tamura, Y. Hosokoshi, D. Shiomi, M. Kinoshita, Y. Nakazawa, M. Ishikawa, H. Sawa, T. Kitazawa, A.

Journal of the Physical Society of Japan   72   1735 - 1744   2003年

Topological Symmetry Control in Spin Density Distribution: Spin Chemistry of Phenalenyl-Based Neutral Monoradical Systems 査読

Y. Morita, J. Kawai, K. Fukui, S. Nakazawa, K. Sato, D. Shiomi, T. Takui, and K. Nakasuji

ORGANIC LETTERS   5   3289 - 3291   2003年

Preparation and Magnetic Properties of Mn(hfac)2-Complexes of 2-(5-Pyrimidinyl)- and 2-(3-Pyridyl)-Substituted Nitronyl Nitroxides 査読

K. Okada, O. Nagao, H. Mori, M. Kozaki, D. Shiomi, K. Sato, T. Takui, Y. Kitagawa, and K. Yamaguchi

Inorganic Chemistry   42   3221 - 3228   2003年

Redox-based spin diversity in a 6-oxophenalenoxyl system: Generation, ESR/ENDOR/TRIPLE, and theoretical studies of 2,5,8-tri-tert-butylphenalenyl-1,6-bis(olate) salts 査読

Morita Y, Nishida S, Kawai J, Fukui K, Nakazawa S, Sato K, Shiomi D, Takui T, Nakasuji K

ORGANIC LETTERS   4 ( 12 )   1985 - 1988   2002年06月（ ISSN:1523-7060 ）

A molecular quantum description of spin alignments in molecule-based ferrimagnets: Numerical calculations of thermodynamic properties 査読

Shiomi D, Sato K, Takui T

JOURNAL OF PHYSICAL CHEMISTRY A   106 ( 10 )   2096 - 2103   2002年03月（ ISSN:1089-5639 ）

A new trend in phenalenyl chemistry: A persistent neutral radical, 2,5,8-tri-tert-butyl-1,3-diazaphenalenyl, and the excited triplet state of the gable syn-dimer in the crystal of column motif 査読

Morita Y, Aoki T, Fukui K, Nakazawa S, Tamaki K, Suzuki S, Fuyuhiro A, Yamamoto K, Sato K, Shiomi D, Naito A, Takui T, Nakasuji K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   41 ( 10 )   1793 - 1796   2002年（ ISSN:1433-7851 ）

The first detection of a Clar's hydrocarbon, 2,6,10-tri-tert-butyltriangulene: A ground-state triplet of non-Kekule polynuclear benzenoid hydrocarbon 査読

Inoue J, Fukui K, Kubo T, Nakazawa S, Sato K, Shiomi D, Morita Y, Yamamoto K, Takui T, Nakasuji K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   123 ( 50 )   12702 - 12703   2001年12月（ ISSN:0002-7863 ）

Single-component molecule-based ferrimagnetics 査読

Shiomi D, Kanaya T, Sato K, Mito M, Takeda K, Takui T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   123 ( 47 )   11823 - 11824   2001年11月（ ISSN:0002-7863 ）

6-oxophenalenoxyl derivatives covalently linked to TTF moieties: synthesis, ESR/ENDOR measurements, and DFT calculations 査読

Morita Y, Kawai J, Haneda N, Nishida S, Fukui K, Nakazawa S, Shiomi D, Sato K, Takui T, Kawakami T, Yamaguchi K, Nakasuji K

TETRAHEDRON LETTERS   42 ( 45 )   7991 - 7995   2001年11月（ ISSN:0040-4039 ）

New stable neutral radical with intramolecular hydrogen bonding: Synthesis and characterization of 2,5,8-tri-tert-butyl-7-hydroxy-6-oxophenalenoxyl 査読

Morita Y, Maki S, Fukui K, Ohba T, Kawai J, Sato K, Shiomi D, Takui T, Nakasuji K

ORGANIC LETTERS   3 ( 20 )   3099 - 3102   2001年10月（ ISSN:1523-7060 ）

Quantum ferrimagnetism based on organic biradicals with a spin-0 ground state: Numerical calculations of molecule-based ferrimagnetic spin chains 招待 査読

D. Shiomi, K. Sato, and T. Takui

Journal of Physical Chemistry B   105   2932 - 2938   2001年

Phenol-substituted nitronyl nitroxide biradicals in the triplet (S=1) ground state 査読

S. Hase, D. Shiomi, K. Sato, and T. Takui

Journal of Materials Chemistry   11   756 - 760   2001年

Electronic quartet and triplet states of polyanionic C60 fullerene and their anomalous spin relaxation as studied by cw-ESR/2D-electron spin transient nutation spectroscopy 査読 国際共著

M.C.B.L. Shohoji, M.L.T.M.B. Franco, M.C.R.L.R. Lazana, S. Nakazawa, K. Sato, D. Shiomi, and T. Takui

Journal of the American Chemical Society   122   2962 - 2963   2000年

New persistent radicals: Synthesis and electronic spin structure of 2,5-di-tert-butyl-6-oxophenalenoxyl derivatives 査読

Y. Morita, T. Ohba, N. Haneda, S. Maki, J. Kawai, K. Hatanaka, K. Sato, D. Shiomi, T. Takui, and K. Nakasuji

Journal of the American Chemical Society   122   4825 - 4826   2000年

Evidence for the breakdown of simple classical pictures of organic molecule-based ferrimagnetics: Low temperature crystal structure and single-crystal ESR studies of an organic heterospin system 査読

M. Nishizawa, D. Shiomi, K. Sato, T. Takui, K. Itoh, H. Sawa, R. Kato, H. Sakurai, A. Izuoka, and T. Sugawara

Journal of Physical Chemistry B   104   503 - 509   2000年

Spin-spin correlation function and magnetic susceptibility of quantum ferrimagnetic spin chains as models for organic molecule-based ferrimagnetics 査読

D. Shiomi, K. Sato, and T. Takui

Journal of Physical Chemistry B   104   1961 - 1965   2000年

Superoxide dismutase mimetic complex of Mn(II)/N,N-bis(2-pyridylmethyl)-(S)-histidine 査読

Yamato K, Miyahara I, Ichimura A, Hirotsu K, Kojima Y, Sakurai H, Shiomi D, Sato K, Takui T

CHEMISTRY LETTERS   ( 4 )   295 - 296   1999年04月（ ISSN:0366-7022 ）

A stable neutral hydrocarbon radical: Synthesis, crystal structure, and physical properties of 2,5,8-tri-tert-butyl-phenalenyl 査読

Goto K, Kubo T, Yamamoto K, Nakasuji K, Sato K, Shiomi D, Takui T, Kubota M, Kobayashi T, Yakusi K, Ouyang JY

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   121 ( 7 )   1619 - 1620   1999年02月（ ISSN:0002-7863 ）

Tribenzo-1,4,5,8,9,12-hexathiatriphenylene dication and dibenzo-1,4,5,8-tetrathiaphenanthrene dication 査読

Nakai T, Kozaki M, Sato K, Shiomi D, Takui T, Itoh K, Okada K

CHEMISTRY LETTERS   ( 9 )   933 - 934   1998年09月（ ISSN:0366-7022 ）

Persisten High-Spin Polycarbene. Generation of Polybrominated 1,3,5-Tris[2-[4-(Phenylcarbeno)-phenyl]ethynyl]benzen (S=3) and Spin Identification by Two-Dimensional Electron Spin Transient Nutation Spectroscopy 査読

H. Tomioka, M. Hattori, K. Hirai, K. Sato, D. Shiomi, T. Takui, and K. Itoh

Journal of the American Chemical Society   120   1106 - 1107   1998年

10,10',10''-(benzene-1,3,5-triyl)triphenothiazine trication 査読 国際共著

Okada K, Imakura T, Oda M, Kajiwara A, Kamachi M, Sato K, Shiomi D, Takui T, Itoh K, Gherghel L, Baumgarten M

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2   ( 6 )   1059 - 1060   1997年06月（ ISSN:0300-9580 ）

A prerequisite for purely organic molecule-based ferrimagnetics: Breakdown of simple classical pictures 査読

Shiomi D, Nishizawa M, Sato K, Takui T, Itoh K, Sakurai H, Izuoka A, Sugawara T

JOURNAL OF PHYSICAL CHEMISTRY B   101 ( 17 )   3342 - 3348   1997年04月（ ISSN:1089-5647 ）

Polycationic High-Spin States of One-and Two-Dimensional(diarylamino)benzenes, Prototypical Model Units for Purely Organic Ferromagnetic Metals as Studied by Pulsed ESR/Electron Spin Transient Nutation Spectroscopy(共著) 査読

K. Sato, M. Yano, M. Furuichi, D. Shiomi, T. Takui, K. Abe, K. Itoh, A. Higuchi, K. Katsuma, and Y. Shirota

Journal of the American Chemical Society   119   6607 - 6613   1997年

Synthesis of 1,3-bis(diarylamino)benzenes as model precursors for one-dimensional organic ferromagnetic metals; Characterization of the dications by cyclic voltammetry and electron spin transient nutation spectroscopy 査読

Yano M, Sato K, Shiomi D, Ichimura A, Abe K, Takui T, Itoh K

TETRAHEDRON LETTERS   37 ( 51 )   9207 - 9210   1996年12月（ ISSN:0040-4039 ）

Magnetic structure of the 4,4,4", 4", 5,5,5", 5"-octamethyl-2,2"-m-phenylenebis(4,5-dihydroimidazol-1-oxyl-3-oxide) biradical : Quantum spin effect of S=1 species associted with structureal change(共著) 査読

D. Shiomi, M. Tamura, H.A. Katori, T. Goto, A. Hayashi, Y. Ueda, H. Sawa, R. Kato, and M. Kinoshita

Journal of Materials Chemistry   4 ( 6 )   915 - 920   1994年

Magnetic Properties of an Organic Biradical, m-BNN : m-phenylene bis(α-nitronyl nitroxide)(共著) 査読

D. Shiomi, M. Tamura, H. Sawa, R. Kato and M. Kinoshita

Journal of the Physical Society of Japan   62   289 - 300   1993年

Magnetic Properties of Stable Organic Polyradicals

Daisuke Shiomi

東京大学   1993年

Low-temperature Magnetic Properties of the ferromagnetic organic radical, p-nitrophenyl nitronyl nitroxide 査読

Y. Nakazawa, M. Tamura, N. Shirakawa, D. Shiomi, M. Takahashi, M. Kinoshita, and M. Ishikawa

Physical Review B   46   8906 - 8914   1992年

Preparation, Crystal Structure and Magnetic Properties of a new Compound LiCuO2 査読

K. Imai, M. Koike, H. Takei, H. Sawa, D. Shiomi, K. Nozawa, and M. Kinoshita

Journal of the Physical Society of Japan   61   1819 - 1820   1992年

Discovery of a Quasi-1D Organic Ferromagnet, p-NPNN 査読

M. Takahashi, P.Turek, Y. Nakazawa, M. Tamura, K. Nozawa, D. Shiomi, M. Ishikawa, and M. Kinoshita

Physical Review Letters   67   746 - 748   1991年

An Organic Radical Ferromagnet 査読

M. Kinoshita, P. Turek, M. Tamura, K. Nozawa, D. Shiomi, Y. Nakazawa, M. Ishikawa, M. Takahashi, K. Awaga, T. Inabe, and Y Maruyama

Chemistry Letters   1991   1225 - 1228   1991年

Ferromagnetic Coupling in a new phase of the p-nitrophenyl nitronyl nitroxide radical 査読

P. Turek, K. Nozawa, D. Shiomi, K. Awaga, T. Inabe, Y. Maruyama, and M. Kinoshita

Chemical Physics Letters   180   327 - 331   1991年

Bulk Ferromagnetism in the β-phase Crystal of the p-nitrophenyl nitronyl introxide radical 査読

M. Tamura, Y. Nakazawa, D. Shiomi, K. Nozawa, Y. Hosokoshi, M. Ishikawa, M. Takahashi, and M. Kinoshita

Chemical Physics Letters   186   401 - 404   1991年

π電子開殻分子系のスピン状態制御による物性機能開発

基盤研究（Ｂ）  2010年

核酸を分子組織化の場とする有機磁性体の開拓

基盤研究（Ｂ）  2007年

安定ラジカル置換強磁性ラジカルイオン種の開発と展開

基盤研究（Ｂ）  2005年

イオン電荷を有する安定開殻分子による純有機フェリ磁性体の開拓

基盤研究（Ｂ）  2005年

サブミクロン超格子強磁性量子細線・タイル及び超高スピン巨大単分子のスピニクス

特定領域研究  2003年

量子ヘテロスピン分子集合系の分子磁性と純有機フェリ磁性体の分子設計

奨励研究(A)  2000年

単分子有機磁石及びセミマクロ巨大スピン協同系の磁気双極子スピン波のスピニクス

特定領域研究(B)  1999年

有機高スピン分子スピニクスの化学-直接的スピン同定分光の開発

特定領域研究(A)  1998年

分子スピニクスのための高磁場Wバンド量子位相FTパルス電子磁気共鳴法の開発

基盤研究（Ａ）  1998年

cwおよびFTパルスESR法によるセミマクロサイズ磁性体の磁気緩和の研究

奨励研究(A)  1997年

FTパルスEPR法による分子性低次元磁性体のスピン相関とスピン緩和の研究

奨励研究(A)  1995年

統計熱力学

2017年度     大学

化学実験II

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基礎物理化学A

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基礎化学実験II

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物質科学基礎理論IV

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量子物質科学演習

1900年度    

量子機能物質学特論III

1900年度    

基礎物質科学実験

1900年度     大学

物質科学実験III

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熱力学II

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物質科学基礎理論IV演習

1900年度     大学