論文・講演



論文


  1. “Characterization of dye-sensitized solar cells using five pure anthocyanidin 3-O-glucosides possessing different chromophores”
    Y. Kimura, T. Maeda, S. Iuchi, N. Koga, Y. Murata, A. Wakamiya, and K. Yoshida*, J. Photochem. Photobiol. A 335, 230-238 (2017)

  2. “A New Method To Evaluate Excited States Lifetimes Based on Green’s Function: Application to Dye-Sensitized Solar Cells”
    D. Sulzer, S. Iuchi, and K. Yasuda*, J. Chem. Theory Comput. 12, 3074-3086 (2016)

  3. “Insight into the light-induced spin crossover of [Fe(bpy)3]2+ in aqueous solution from molecular dynamics simulation of d–d excited states”
    S. Iuchi* and N. Koga, Phys. Chem. Chem. Phys. 18, 4789-4799 (2016)

  4. “Improving DIIS convergence for metallic systems using Gaussian basis set”
    D. Sulzer, S. Iuchi, and K. Yasuda*, Chem. Phys. Lett. 635, 201-204 (2015)

  5. “An improved model electronic Hamiltonian for potential energy surfaces and spin-orbit couplings of low-lying d-d states of [Fe(bpy)3]2+
    S. Iuchi* and N. Koga, J. Chem. Phys. 140, 024309(1-11) (2014)

  6. “Ultraviolet bonding of perfluoropolyethers to carbon surfaces investigated using quantum chemical methods”
    Md. K. Alam, H. Zhang*, N. Koga, and S. Iuchi, Microsyst. Technol. 19, 1383-1391 (2013)

  7. “Theoretical study on ultrafast intersystem crossing of chromium(III) acetylacetonate”
    H. Ando, S. Iuchi, and H. Sato*, Chem. Phys. Lett. 535, 177-181 (2012)

  8. “A model electronic Hamiltonian to study low-lying electronic states of [Fe(bpy)3]2+ in aqueous solution”
    S. Iuchi*, J. Chem. Phys. 136, 064519(1-10) (2012)

  9. “Spin-orbit coupling in a model Hamiltonian for d-d excited states of Ni2+ ion aqueous solution”
    S. Iuchi* and S. Sakaki, Chem. Phys. Lett. 485, 114-118 (2010)

  10. “Hydrated Excess Proton at Water-Hydrophobic Interfaces”
    S. Iuchi, H. Chen, F. Paesani, and G. A. Voth*, J. Phys. Chem. B 113, 4017-4030 (2009)

  11. “Quantum effects in liquid water from an ab initio-based polarizable force field”
    F. Paesani, S. Iuchi, and G. A. Voth*, J. Chem. Phys. 127, 074506(1-15) (2007)
    (Selected in Virtual Journal of Biological Physics Research, volume 14, issue 5, 2007)

  12. “Are many-body electronic polarization effects important in liquid water?”
    S. Iuchi, S. Izvekov, and G. A. Voth*, J. Chem. Phys. 126, 124505(1-13) (2007)

  13. “Electronic relaxation dynamics of Ni2+-ion aqueous solution: Molecular-dynamics simulation”
    S. Iuchi, A. Morita, and S. Kato*, J. Chem. Phys. 123, 024505(1-11) (2005)
    (Selected in Virtual Journal of Ultrafast Science, volume 4, issue 8, 2005)

  14. “Potential energy surfaces and dynamics of Ni2+ ion aqueous solution: Molecular dynamics simulation of the electronic absorption spectrum”
    S. Iuchi, A. Morita, and S. Kato*, J. Chem. Phys. 121, 8446-8457 (2004)

  15. “Molecular Dynamics Simulation with the Charge Response Kernel: Vibrational Spectra of Liquid Water and N-Methylacetamide in Aqueous Solution”
    S. Iuchi, A. Morita, and S. Kato*, J. Phys. Chem. B 106, 3466-3476 (2002)


著書・解説など


  1. “超高速のスピン状態変化を伴う鉄錯体の励起状態ダイナミクスの動力学計算”
    井内 哲, アンサンブル 18, 216-219 (2016)

  2. “Development of a model electronic Hamiltonian for understanding electronic relaxation dynamics of [Fe(bpy)3]2+ through molecular dynamics simulations”
    S. Iuchi* and N. Koga, AIP Conf. Proc. 1702, 090022 (2015)

  3. “錯体化学会選書8 錯体の溶液化学” 横山 晴彦, 田端 正明 編著
    佐藤 啓文, 井内 哲 6-4章 9-2-2章, 三共出版 (2012)

  4. “溶液内における遷移金属錯体の電子励起状態とそのダイナミックスを扱う分子動力学シミュレーション”
    井内 哲, アンサンブル 14, 26-31 (2012)