Publications

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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