中村特別研究室

研究業績

査読在論文リスト

  1. Y. Noda, K. Ohno, S. Nakamura:

    "Momentum-depending band spin splitting in semiconducting MnO2: A density functional calculation"

    Phys. Chem. Chem. Phys., 2016, (in press)

  2. M. Hatakeyama, K. Ogata, K. Fujii, V. K. Yachandra, J. Yanoa, S. Nakamura:

    "Structural Changes in the S3 State of the Oxygen Evolving Complex in Photosystem II"

    Chem. Phys. Lett., 2016, (in press)

  3. K. Takase, K. Hyodo, M. Morimoto, Y. Kojima, H. Mayama, S. Yokojima, S. Nakamura, K. Uchida:

    "Photoinduced reversible formation of a superhydrophilic surface by crystal growth of diarylethene"

    Chem. Commun., 2016, (in press)

  4. O. Kanie, Y. Shiori, K. Ogata, W. Uchida, S. Daikoku, K. Suzuki, S. Nakamura, Y. Ito:

    "Diastereomeric resolution directed towards chirality determination focussing on gas-phase energetics of coordinated sodium dissociation"

    Sci. Rep., 2016, 6, 24005.

  5. N. Harima-Mizusawa, K. Komachi, M. Kano, D. Nozaki, T. Uetake, Y. Yokomizo, T. Nagino, A. Tanaka, K. Miyazaki, S. Nakamura:

    "Beneficial effects of citrus juice fermented with Lactobacillus plantrum YIT0132 on atopic dermatitis: results of daily intake by adult patients in two open trials"

    Biosci. Microbiota. Food Health, 2016, 35, 29-39.

  6. Y. Wang, M. Hatakeyama, K. Ogata, M. Wakabayashi, F. Jin, S. Nakamura:

    "Activation of CO2 by ionic liquid EMIM-BF4 in the electrochemical system: a theoretical study"

    Phys. Chem. Chem. Phys., 2015, 17, 23521-23531.

  7. K. Ogata, M. Hatakeyama, F. Jin, X. Zeng, Y. Wang, K. Fujii, S. Nakamura:

    "A model study of hydrothermal reactions of trigonal dippyramidal Zn5 cluster with two water molecules"

    Comput. Theor. Chem., 2015, 1070, 126-131.

  8. M. Yamamoto, N. Nishikawa, H. Mayama, Y. Nonomura, S. Yokojima, S. Nakamura, K. Uchida:

    "Theoretical Explanation of the Lotus Effect: Superhydrophobic Property Changes by Removal of Nanostructures from the Surfacce of a Lotus Leaf"

    Langmuir, 2015, 131, 7355-7363.

  9. K. Ogata, S. Nakamura:

    "Improvement of Paramers of AMBER potential Force Field for Phospholipids for Description of Thermal Phase Transitions"

    J. Phys. Chem. B, 2015, 119, 9726-9739.

  10. J. Okuda, Y. Tanaka, R. Kodama, K. Sumaru, K. Morishita, T. Kanamori, S. Yamazoe, K. Hyodo, S. Yamazaki, T. Miyatake, S. Yokojima, S. Nakamura, K. Uchida:

    "Photoinduced cytotoxicity of a photochromic diarylthene via caspase cascade activation"

    Chem. Commun., 2015, 51, 10957-10960.

  11. H. Nakata, D. G. Fedorov, T. Nagata, K. Kitaura, S. Nakamura:

    "Simulations of Chemical Reactions with the Frozen Domain Fomulation of the Fragment Molecular Orbital Method"

    J. Chem. Theory Comput., 2015, 11, 3053-3064.

  12. M. Wakabayashi, S. Yokojima, T. Fukaminato, H. Ohtani, S. Nakamura:

    "Anisotropic eppliptical dichorism and influence of imperfection of circular polarization upon anisotropic circular dichroism"

    J. Chem. Phys., 2015, 142, 154102.

  13. H. Nakata, D. G. Fedorov, F. Zahariev, M. W. Schmidt, K. Kitaura, M. G. Gordon, S. Nakamura:

    "Analytical second derivative of the energy for density functional theory based on the three-body fragment molecular orbital method"

    J. Chem. Phys., 2015, 142, 124101.

  14. M. Hatakeyama, K. Ogata, T. Ishida, K. Kitamura, S. Nakamura:

    "Theoretical Study on Carbon-Carbon Short Contact of ~2.3 Å: intermedicate State between Nonbonding and σ-Covalent Bonding"

    J. Phys. Chem. A, 2015, 119, 781-785.

  15. D. Simoncini, H. Nakatam, K. Ogata, S. Makamura, K. YJ Zhang:

    "Quality assesment of predicted protein models using energies calculated by the fragment molecular oribtal method"

    Mol. Inf., 2015, 34, 97-104.

  16. R. Kodama, K. Sumaru, K. Morishita, T. Kanamori, K. Hydo, T. Kamitanaka, M. Morimoto, S. Yokojima, S. Nakamura, K. Uchida:

    "A diarylethene as the SO2 gas generator upon UV irradiation"

    Chem. Commun., 2015, 51, 1736-1738.

  17. J. Yang, M. Hatakeyama, K. Ogata, S. Nakamura, C. Li:

    "Theoretical Study on the Role of Ca2+ at the S2 State in Photosystem II"

    J. Phys. Chem. B, 2014, 118, 14215-14222.

  18. W. Uchida, M. Wakabayashi, K. Ikemoto, M. Nakano, J. Ohtani, S. Nakamura:

    "Mechanism of glycine oxidation catalyzed by pyrroloquinoline quinone in aqueous solution"

    Phys. Chem. Lett., 2014, 620, 13-18.

  19. K. Ogata, W. Uchida, S. Nakamura:

    "Understanding Thermal Phases in Atomic Detail by All-Atom Molecular Dynamics Simulation of Phospholipid Bilayer"

    J. Phys. Chem. B, 2014, 118, 14353-14365.

  20. H. Nakata, M. W. Schmidt, D. G. Fedorov, K. Kitaura, S. Nakamura, M. S. Gordon,:

    "Efficient Molecular Dynamics Simulations of Multiple Radical Center Systems Based on the Fragment Molecular Orbital Method"

    J. Phys. Chem. A, 2014, 118(41), 9762-9771.

  21. N. Nishikawa, H. Mayama, Y. Nonomura, N. Fujinaga, S. Yokojima, S. Nakamura, K. Uchida,:

    "Theoretical Explanation for the Photoswitchable Superhydrophobicity of Diarylethene Microcrystalline Surface"

    Langmuir, 2014, 30(35), 10643-10650.

  22. Y. Tatsumi, N. Fujinaga, M. Kasuno, M. Morimoto, S. Yokojima, S. Nakamura, K. Uchida:

    "A photo- and halochromic multicolor switching system consisting of diarylethene and malachite green moieties"

    New J. Chem., 2014, 38, 5706-5714.

  23. X. Zeng, M. Hatakeyama, K. Ogata, J. Liu, Y. Wang, Q. Gao, K. Fujii, M. Fujihira, F. Jin, S. Nakamura,:

    "New insights into highly efficient reduction of CO2 to formic acid by using zinc under mild hydrothermal conditions: a joint experimental and theoretical study"

    Phys. Chem. Chem. Phys, 2014, 16(37), 19836-19840.

  24. M. Wakabayashi, S. Yokojima, T. Fukaminato, K. Shiino, M. Irie,:

    "Anisotropic Dissymmetry Factor, g: Theoretical Investigation on Single Molecule Chiroptical Spectroscopy"

    J. Phys. Chem., 2014, 118, 5046-5057.

  25. H. Nakata, D. G. Fedorov, S. Yokojima, K. Kitaura, S. Nakamura,:

    "Efficient vibrational analysis for unrestricted Hartree-Fock based on the fragment molecular orbital method"

    Chem. Phys. Lett., 2014, 603, 67-74.

  26. H. Nakata, D. G. Fedorov, S. Yokojima, K. Kitaura, M. Sakurai, S. Nakamura,:

    "Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems"

    J. Chem. Phys., 2014, 140, 144101.

  27. H. Nakata, D. G. Fedorov, S. Yokojima, K. Kitaura, S. Nakamura,:

    "Derivatives of the approximated electrostatic potentials in unrestricted Hartree-Fock based on the fragment molecular orbital method and an application to polymer radicals"

    Theor. Chem. Acc., 2014, 133, 1477.

  28. S. Yokojima, Q. Gao, D. G. Fedorov, K. Kitaura, M. Sakurai, S. Nakamura,:

    "Octahedral point-charge model and its application to fragment molecular orbital calculations of chemical shifts"

    Chem. Phys. Lett., 2014, 593, 165-173.

  29. T. Yamaguchi, Y. Kamihashi, T. Ozeki, A. Uyama, J. Kitai, M. Kasumo, K. Sumaru, Y. Kimura, S. Yokojima, S. Nakamura, M. Morimoto, K. Uchida,:

    "Photochromic reaction of diarylethenes having phenol moiety as an aryl ring"

    Bull. Chem. Soc. Jpn., 2014, 87, 528-538.

  30. K. Fujii, S. Nakamura, M. Sugiyama, K. Watanabe, B. Bagheri, Y. Nakano,:

    "Characteristics of hydrogen generation from water splitting by polymer electrolyte electrochemical cell directly connected with concentrated photovoltaic cell"

    Int. J. Hydrogen Energ., 2013, 38, 14424-14432.

  31. K. Fujii, S. Nakamura, K. Watanabe, B. Bagheri, M. Sugiyama, Y. Nakano,:

    "Over 12% Light to Hydrogen Energy Conversion Efficiency of Hydrogen Generation From Water: New System Concept, Concentrated Photovoltaic Electrochemical Cell (CPEC)"

    Mater. Res. Soc. Symp. Proc., 2013, 1491.

  32. K. Ogata, T. Yuki, M. Hatakeyama, W. Uchida, S. Nakamura:

    "All-Atom Molecular Dynamics Simulation of Photo system ⅡEmbedded in Thylakoid Membrane"

    J. Am. Chem. Soc., 2013, 135, 15670-15673.

  33. N. Fujinaga, N. Nishikawa, S. Sakiyama, S. Yamgazoe, Y. Kojima, T. Tsujioka, S. Yokojima, S. Nakamura, K. Uchida,:

    "Temperature Dependence of the Photoinduced Micro-crystalline Surface Topography of a Diarylethene"

    CrystEngComm, 2013, 15, 8400-8403.

  34. N. Nishikawa, S. Sakiyama, S. Yamazoe, Y. Kojima, E. Nishihara, T. Tsujioka, H. Mayama, S. Yokojima, S. Yokojima, S. Nakamura, K. Uchida,:

    "Photoinduced Self-Epitaxial Crystal Growth of a Diarylethene Derivative with Antireflection Moth-Eye and Superhydrophobic Lotus Effects"

    Langmuir, 2013, 29, 8164-8169.

  35. T. Kudemac, T. Kobayashi, A. Uyama, K. Uchida, S. Nakamura, B. L. Feringa,:

    "Tuning the Temperature Dependence for Switching in Dithienylethene Photochromic Switches"

    J. Phys. Chem. A, 2013, 117, 8222-8229.

  36. H. Nakata, T. Nagata, D. G. Fedorov, S. Yokojima, K. Kitaura, S. Nakamura,:

    "Analytic second derivatives of the energy in the fragment molecular orbital method"

    J. Chem. Phys., 2013, 138, 164103.

  37. S. Nakamura, K. Uchida, M. Hatakeyama,:

    "Potential Energy Surfaces and Quantum Yields for Photochromic Diarylethene Reactions"

    Molecules, 2013, 18, 5091-5103.

  38. H. Nakata, D. G. Fedorov, T. Nagata, S. Yokojima, K. Ogata, K. Kitamura, S. Nakamura,:

    "Unrestricted Hartree-Fock based on the fragment molecular orbital method: Energy and its analytic gradient"

    J. Chem. Phys., 2012, 137, 044110.

  39. N. Nishikawa, H. Kiyohara, S. Sakiyama, S. Yamazoe, H. Mayama, T. Tsujioka, Y. Kojima, S. Yokojima, S. Nakamura, K. Uchida,:

    "Photoinduced Formation of Superhydrohobic Surface on Which Contact Angle of a Water Droplet Exceeds 170° by Reversible Topographical Changes on a Diarylethene Microcrystaline Surface"

    Langmuir, 2012, 28, 17817-17924.

  40. Y. Tatsumi, J. Kitai, W. Uchida, K. Ogata, S. Nakamura, K. Uchida,:

    "Photochromism of 1,2-Bid(2-Thienyl)perfluorocyclopentene Derivatives: Substituent Effect on the Reactive Carbon Atoms"

    J. Phys. Chem. A, 2012, 116(45), 10973-10979.

  41. K. Ogata, J. Shen, S. Sugawa, S. Nakamura,:

    "MD Simulation Study of Ras/Raf Dissociation and the Resonating Structure of Deactivated Ras"

    Bull. Chem. Soc. Jpn., 2012, 85(12), 1318-1328.

  42. J. Kitai, T. Kobayashi, W. Uchida, M. Hatakeyama, S. Yokojima, S. Nakamura, K. Uchida,:

    "Photochromism of a Diarylethene Having an Azulene Ring"

    J. Org. Chem., 2012, 77, 3270-3276.

  43. M. Hatakeyama, H. Nakata, M. Wakabayashim S. Yokojima, S. Nakamura,:

    "New Reaction Model for O-O Bond Formation and O2 Evolution Catalyzed by Dinuclear Manganese Complex"

    J. Phys. Chem. A, 2012, 116, 7089-7097.

  44. M. Hatakeyama, S. Yokojima, T. Koike, M. Akita, S. Nakamura,:

    "Theoretical study on the photocyclization mechanism of diarylethenes with transition metal substituents"

    Bull. Chem. Soc. Jpn., 2012, 85, 6, 679-686.

  45. S. Sakiyama, S. Yamazoe, A. Uyama, M. Morimoto, S. Yokojima, S. Nakamura, K. Uchida,:

    "Photoinduced Reversible Heteroepitaxial Microcrystal Growth of a Photochromic Diarylethene on (110) Surface of SrTiO3"

    Cryst. Growth Des., 2012, 12(3), 1464-1468.

  46. K. Fujii, S. Nakamura, S. Yokojima, T. Goto, T. Yao, M. Sugiyama, Y. Nakano,:

    "Photoelectrochemical properties of InxGa1-xN/GaN Multiquantum Well Structures in Depletion Layers"

    J. Phys. Chem. C, 2011, 115, 25165-25169.

  47. S. Katsumura, K. Shinoda, M. Yamada, S. Yokojima, M. Inoue, T. Ohnishi, T. Shimada, K. Kikuchi, D. Masui, S. Hashimoto, M. Sato, A. Ito, M. Akiko, S. Takagi, Y. Nakamura, K. Nemoto, Y. Hasegawa, H. Takamoto, H. Inoue, S. Nakamura, Y. Nabeshima, D. B. Teplow, M. Kinjo, M. Hoshi,:

    "Two distinct amyloid β-protein(Aβ) assembly pathways leading to oligomers and fibrils identified by combined fluorescence correlations spectroscopy, morphology, and toxicity analyses"

    J. Biol. Chem., 2011, 286, 13, 11555-11562.

  48. S. Nakamura, S. Yokojima, K. Uchida, T. Tsujioka,:

    "Photochromism of diarylethene: Effect of polymer environment and effects on surfaces"

    J. Photochem. Photobiol. C, 2011, 12, 138-150.

  49. K. Motoyama, H. Li, T. Koike, M. Hatakeyama, S. Yokojima, S. Nakamura, M. Akita,:

    "Photo- and electro-chromic organometallics with dithienylethene (DTE) linker, L2CpM-DTE-MCpL2: Dually stimuli-responsive molecular switch"

    Dalton Trans., 2011, 40, 10643-10657.

  50. N. Nishikawa, A. Uyama, T. Kamitanaka, H. Mayama, Y. Kojima, S. Yokojima, S. Nakamura,:

    "Photoinduced Reversible Topographical Changes on Diarylethene Microcrystalline Surfaces with Biomimetic Wetting Properties"

    Chem. --Asian J., 2011, 6, 2400-2406.

  51. K. Mori, Y. Ishibashi, H. Matsuda, S. Ito, Y. Nagasawa, H. Nakagawa, K. Uchida, S. Yokojima, S. Nakamura,:

    "One-Color Reversible Control of Photochromic Reactions in a Diarylehtne Derivative: Three-Photon Cyclization and Two-Photon Cycloreversion by a Near-Infrared Femtosecond Laser Pulse at 1.28µm"

    J. Am. Chem. Soc., 2011, 133, 2621-2625.

  52. S. Yokojima, T. Kobayashi, K. Shinoda, K. Matsuda, K. Higashiguchi, S. Nakamura,:

    "π-Conjugation of Two Nitroxides-Attached Diarylethenes"

    J. Phys. Chem. B, 2011, 115(18), 5685-5692.

  53. A. Uyama, S. Yamazoe, S. Shigematsu, M. Morimoto, S. Yokojima, H. Mayama, Y. Kojima, S. Nakamura, K. Uchida,:

    "Reversible Photocontrol of Surface Wettability between Hydrophilic and Superhydrophobic Surfaces on an Ayymetric Diarylethene Solid Surface"

    Langmuir, 2011, 27, 6395-6400.

  54. K. Uchida, N. Nishikawa, N. Izumi, S. Yamazoe, H. Mayama, Y. Kojima, S. Yokojima, S. Nakamura,:

    "Phototunable Diarylethene Microcrystalline Surfaces: Lotus and Petal Effects upon Wetting"

    Angew. Chem. Int. Ed., 2010, 49, 5942-5944.

  55. Y. Sesumi, S. Yokojima, S. Nakamura, K. Uchida, T. Tsujioka,:

    "Light-Controlled Selective Metal Deposition on a Photochromic Diarylethene Film-Towaed New Applications in Electronics and Photonics-"

    Bull. Chem. Soc. Jpn., 2010, 83, 7, 756-761.

  56. Q. Gao, S. Yokojima, D. G. Fedorov, K. Kitaura, M. Sakurai, S. Nakamura,:

    "Fragment-Molecular-Orbital-Method-Based ab Initio NMR Chemical-Shift Calculations for Large Molecular Systems"

    J. Chem. Theory Comput., 2010, 6, 1428-1444.

  57. K. Uchida, H. Sumino, Y. Shimobayashi, Y. Ushiogi, A. Takano, Y. Kojima, S. Yokojima, S. Kobayake, S. Nakamura,:

    "Unusual Photochromic Behavior of C3-Methoxy-Substituted Bis(2-thienyl)perfluorocyclopentene"

    Bull. Chem. Soc Jpn., 2009, 82, 11, 1441-1446.

  58. K. Masui, R. Takagi, S. Sesumi, S. Nakamura, T. Tsujioka,:

    "Selective metal deposition for a structure with a thin intermediate layer on a photochromic diarylethene film"

    J. Mater. Chem., 2009, 19, 3176-3180.

  59. T. Tsujioka, Y. Sesumi, S. Yokojima, S. Nakamura, K. Uchida,:

    "Metal atom behavior oon photochromic diarylethene surfaces-deposition rate dependence of selective Mg deposition"

    New J. Chem., 2009, 33, 1335-1338.

  60. N. Izumi, N. Nishikawa, S. Yokojima, Y. Kojima, S. Nakamura, S. Kobatake, M. Irie, K. Uchida,:

    "Photo-induced reversible topographical changes of photochromic dithienylethene microcrystalline surfaces"

    New J. Chem., 2009, 33, 1324-1326.

  61. G. Treboux, S. Nakamura,:

    "Fusing C60 units without Stone-Wales bond rotation"

    Monatsh. Chem., 2009, 140(7), 839-843.

  62. S. Nakamura, S. Yokojima, K. Uchida, T. Tsujioka, A. Gordberg, A. Murakami, K. Shinoda, M. Mikami, T. Kobayashim, S. Kobatake, K. Matsuda, M. Irie,:

    "Theoretical investigation on photochromic diarylethene: A short review"

    J. Photochem. Photobiol. A, 2008, 200, 10-18.

  63. G. Treboux, J. Mizukami, M. Yabe, S. Nakamura,:

    "Blue Phosphorescent Iridium(III) Complex. Aromaticity of the Triplet Potential Energy Surface"

    J. Photopolym. Sci. Technol., 2008, 21, 3, 347-348.

  64. R. Takagi, K. Masui, S. Nakamura, T. Tsujioka,:

    "Metal patterning using maskless vacuum evaporation process based on selective deposition of photochromic diarylethene"

    Appl. Phys. Lett., 2008, 93, 213304.

  65. K. Uchida, S. Sukata, Y. Matsuzawa, M. Akazawa, J. J. D. de Jong, N. Katsonis, Y. Kojima, S. Nakamura, J. Areephong, A. Meetsma, B. L. Ferlinga,:

    "Photoresposive Rolling and Bending of Thin Crystals of Chiral Diarylethenes"

    Chem. Commun., 2008, 326-328.

  66. T. Tsujioka, Y. Sesumi, R. Takagi, M. Masui, S. Yokojima, K. Uchida,:

    "Selective Metal Deposition on Photoswichable Molecular Surfaces"

    J. Am. Chem. Soc., 2008, 130, 10740-10747.

  67. N. Izumi, T. Minami, H. Mayama, A. Tanaka, S. Nakamura, S. Yokojima, S. Tsujii, K. Uchida,:

    "Super Water-Repellent Fractal Surfaces of a Photochromic Diarylethene Induced by UV Light"

    Jpn. J. Appl. Phys., 2008, 47(9), 7298-7302.

  68. G. Qi, S. Yokojima, T. Kohno, T. Ishida, D. G. Fedorov, K. Kitaura, M. Fujihira, S. Nakamura,:

    "Ab initio NMR chemical shift calculations on proteins using fragment molecular orbitals with electrostatic environment"

    Chem. Phys. Lett., 2007, 445, 331-339.

  69. S. Yokojima, K. Ryuo, M. Tachikawa, T. Kobayashi, K. Kanda, S. Nakamura, T. Ebisuzaki, T. Fukaminato, M. Irie,:

    "Conformational dependence of energy transfer rate between photochromic molecule and fluorescent dye"

    Physica E, 2007, 40, 301-305.

  70. A. Takata, S. Yokojima, H. Nakagawa, Y. Matsuzawa, A. Murakami, S. Nakamura, M. Irie, K. Uchida,:

    "Substituent effect of diarylethenes on IR spectra for application of non-destructive readout of photochromic recording"

    J. Phys. Org. Chem., 2007, 40, 998-1006.

  71. S. Nakamura, T. Kobayashi, A. Takata, K. Uchida, Y. Asano, A. Murakami, A. Goldberg, D. Guillaumont, S. Yokojima, S. Kobatake, M. Irie,:

    "Quantum yields and potential energy furfaces: a theoretical study"

    J. Phys. Org. Chem., 2007, 20, 821-829.

  72. G. Treboux, J. Mizukami, M. Yabe, S. Nakamura,:

    "Blue phosphorescent Iridium(III) complex. A reaction path on the triplet potential energy surface"

    Chem. Lett., 2007, 36, 1344-1345.

  73. T. Kobayashi, M. Shiga, M. Murakami, S. Nakamura,:

    "Ab initio study of ultrafast photochemical reaction dynamics of phenol blue"

    J. Am. Chem. Soc., 2007, 129, 6405-6424.

  74. T. Fukaminato, T. Umemoto, Y. Iwatam S. Yokojima, M. Yoneyama, S. Nakamura, M. Irie,:

    "Photochromism of Diarylethene Single Molecules in Polymer Matrices"

    J. Am. Chem. Soc., 2007, 129, 5932-5938.

  75. K. Uchida, N. Izumi, S. Sukata, Y. Kojima, S. Nakamura, M. Irie,:

    "Photoinduced Reversible Formation of Microfivrils on a Photochromic Diarylethene Microcrystalline Suurface"

    Angew. Chem. Int. Ed., 2006, 45, 6470-6473.

  76. K. Matsuda, S. Yokojima, Y. Moriyama, S. Nakamura, M. Irie,:

    "Direct Observation of Cation Radicals of a Diarylethene during Oxidative Ring-opening Reaction"

    Chem. Lett., 2006, 35, 900-901.

  77. K. Tasaki, K. Kanda, T. Kobayashi, S. Nakamura, M. Ue,:

    "Theoretical Studies on the Reductive Decompositions of Solvents and Additives for Lithium-Ion Batteries near Lithium Anodes"

    J. Electrochem. Soc., 2006, 153, A2192-A2197.

  78. A. Takata, M. Saito, S. Yokojima, A. Murakami, S. Nakamura, M. Irie, K. Uchida,:

    "Micrometer-Scale Photochromic Recording on an Amorphous Diarylethene Film and Nondestructive Dearout using Near-Field IR Light"

    Jpn. J. Appl. Phys., 2006, 45, 7114-7120.

  79. T. Tsujioka, N. Iefuji, A. Jipaer, M. Irie, S. Nakamura,:

    "Hole-injection isomerization of photochromic diarylethene for organic molecular memory"

    Appl. Phys. Lett., 2006, 89, 22102^1-3.

  80. M. Mikami, S. Nakamura,:

    "Electronic structure of rare-earth sesquioxides and oxysulfides"

    J. Alloys. Compd., 2006, 408-412, 687-692.

  81. S. Yokojima, K. Matsuda, M. Irie, A. Murakami, T. Kobayashi, S. Nakamura,:

    "Chracterization of Cationic Diarylethene by Electron Spin Resonance and Absorption Spectra-Ratio of Open/Closed-Ring Isomers"

    J. Phys. Chem. A, 2006, 110, 8137-8143.

  82. K. Uchida, M. Saito, A. Murakami, T. Kobayashi, S. Nakamura, M. Irie,:

    "Multi-States Photochromic Recording and Nondestructive Readout Using IR Light"

    Mol. Cryst. Liq. Cryst., 2005, 430, 31-36.

  83. M. Gotoh, M. Tachikawa, K. Ryo, K. Sasagane, K. Suzuki, K. Mori, S. Nakamura,:

    "The first and second derivative matrices in the random phase approximation scheme by using the Lagrangian technique"

    Int. J. Quantum Chem., 2005, 105, 225-231.

  84. K. Higashiguchi, K. Matsuda, Y. Asano, A. Murakami, S. Nakamura, M. Irie,:

    "Photochromism of diarylethenes containing fluorinated thiophene rings"

    Eur. J. Org. Chem., 2005, 91-97.

  85. K. Uchida, M. Saito, A. Murakami, T. Kobayashi, S. Nakamura, M. Irie,:

    "Three bits eight states photochromic recording and nondestructive readout by using IR right"

    Chem. --Eur. J., 2005, 11, 534-542.

  86. Y. Asano, A. Murakami, T. Kobayashi, A. Goldberg, D. Guillaumont, S. Yabushita, M. Irie, S. Nakamura,:

    "Theoretical study on the photochromic cycloereversion reaction of dithienylethenes; on the role of the conical intersections"

    J. Am. Chem. Soc., 2004, 126, 12112-12120.

  87. M. Mikami, S. Nakamura,:

    "First-principles study of salicylideneamiline molecular crystals: tautomerization reaction involving intermolecular hydrogen bonds"

    Phys. Rev. B, 2004, 69, 134205-1-8.

  88. M. Saito, T. Miyata, A. Murakami, S. Nakamura, M. Irie, K. Uchida,:

    "Non-destructive readout of the photochromic recording using the IR light in the near field"

    Chem. Lett., 2004, 33, 786-787.

  89. Y. Yokoyama, Y. Kurimoto, Y. Saito, M. katsurada, I. Okada, Y. T. Osano, C. Sasaki, Y. Yokoyama, H. Tukada, M. Adachi, S. Nakamura, T. Murayama, T. Harazono, T. Kodaira,:

    "Thermally reversible photochromism of pyrazole derivatives"

    Chem. Lett., 2004, 33, 107-107.

  90. A. Murakami, T. Kobayashi, A. Goldberg, S. Nakamura,:

    "CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of graound and exited states for azulene"

    J. Chem. Phys., 2004, 120, 1245-1252.

  91. H. Yamamoto, M. Mikami, S. Nakamura,:

    "Nonlinear cathodoluminescence from insulators"

    J. Lunin., 2003, 102-103, 782-784.

  92. K. Uchida, A. Takata, M. Saito, A. Murakami, S. Nakamura, M. Irie,:

    "Synthesis of novel photochromic films by oxidation polymerization of diarylethene containing phenol groups"

    Adv. Funct. Mater., 2003, 10, 755-762.

  93. K. Uchida, M. Saito, A. Murakami, S. Nakamura, M. Irie,:

    "Multifrequency photochromic recording and nondestructive readout using IR light"

    Chem. Phys. Chem., 2003, 4, 1124-1127.

  94. K. Tasaki, K. Kanda, S. Nakamura, M. Ue,:

    "Decomposition of LiPF6 and stability of PF5 in Li-ion battery electrolytes, density functional theory and molecular dynamics studies"

    J. Electrochem. Soc., 2003, 150, A1628-A1636.

  95. A. Goldberg, A. Murakami, K. Kanda, T. Kobayashi, S. Nakamura, K. Uchida, H. Sekiya, T. Fukaminato, T. Kawai, S. Kobatake, M. Irie,:

    "Rotational isomerization of dithienylethenes: a study on the mechanism determining quantum yield of cyclization reaction"

    J. Phys. Chem. A, 2003, 107, 4982-4988.

  96. K. Morimitsu, S. Kobatake, S. Nakamura, M. Irie,:

    "Efficient photocycloreversion reaction of diarylethenes by introduction of cyano substituents to the reactive carbons"

    Chem. Lett., 2003, 32, 858-859.

  97. K. Uchida, A. Takata, M. Saito, A. Murakami, S. Nakamura, M. Irie,:

    "A novel photochromic film by oxidation polymerization of a bisbenzothienylethene with phenol groups"

    Adv. Mater., 2003, 15, 785-788.

  98. K. Uchida, M. Saito, A. Murakami, S. Nakamura, M. Irie,:

    "Non-destructive readout of the photochromic reaction of diarylethene derivatives using infrared light"

    Adv. Mater., 2003, 15, 121-125.

  99. Y. Asano, A. Murakami, T. Kobayashi, S. Kobatake, M. Irie, S. Yabushita, S. Nakamura,:

    "Theoretical study on novel quantum yield of dithienylethenes cyclization reaction in crystals"

    J. Mol. Struct.:THEOCHEM, 2003, 625, 227-234.

  100. M. Mikami, S. Nakamura, M. Itoh, K. Nakajima, T. Shishido,:

    "Lattice dynamics and optical properties of yttrium oxysulfide"

    J. Lumin., 2003, 102-103, 7-12.

  101. C. Okabe, N. Tanaka, T. Fukaminato, T. Kawai, M. Irie, Y. Nibu, H. Shimada, A. Goldberg, S. Nakamura, H. Sekiya,:

    "Raman spectroscopic study on photochromic reaction of a diarylethene derivative"

    Chem. Phys. Lett., 2002, 357, 113-118.

  102. N. Tanaka, C. Okabe, K. Sakota, T. Fukaminato, T. Kaswai, M. Irie, A. Goldberg, S. Nakamura, H. Sekiya,:

    "Electronic spectrum of a photochromic diarylethene derivative in a supersonic free jet. Internal conversion from S2(1B) to S1(2A)"

    J. Mole. Struct., 2002, 616, 113-118.

  103. D. Guillaumont, T. Kobayashi, K. Kanda, H. Miyasaka, K. Uchida, S. Kobatake, K. Shibata, S. Nakamura, M. Irie,:

    "An Ab initio MO Study of the Photochromic Reaction of Dithienylethenes"

    J. Phys. Chem. A, 2002, 106, 7222-7227.

  104. M. Mikami, S. Nakamura, O. Kitao, H. Arakawa,:

    "Lattic Dynamics and Dielectric Properties of TiO2 anatase"

    Phys. Rev. B, 2002, 66, 155213-1-6.

  105. M. Mikami, S. Nakamura, M. Itoh, K. Nakajima, T. Shishido,:

    "Lattic Dynamics and Dielectric Properties of Yttrium Oxysulfide"

    Phys. Rev. B, 2002, 65, 94302-1-4.

  106. M. Ue, A. Murakami, S. Nakamura,:

    "A conventional method to estimate ion size for electrolyte materials design"

    J. Electrochem. Soc., 2002, 149, A1385-A1388.

  107. M. Ue, A. Murakami, S. Nakamura,:

    "Anodic stability of several anions examined by ab initio Molecular Orbital and Density Functional theories"

    J. Electrochem. Soc., 2002, 149, A1572-A1577.

  108. K. Uchida, A. Takata, S. Nakamura, M. Irie,:

    "Photochromic films prepared by oxidation polymerization of diarylethene having phenol moieties"

    Chem. Lett., 2002, 31, 476-477.

  109. K. Uchida, D. GUillaumont, E. Tsuchida, G. Mochizuki, M. Irie, A. Murakami, S. Nakamura,:

    "Theoretical study of an intermediate, a factor determining the quantum yield in photochormism of diarylethene derivatives"

    J. Mol. Struct.:THEOCHEM, 2002, 579, 115-120.

  110. K. Uchida, T. Matsuoka, S. Kobatake, T. Yamaguchi, A. Goldberg, S. Nakamura, M. Irie,:

    "Substituent Effect on the Photochromic Reactivity of Bis(2-thienyl)perfluorocyclopentenes and a Gated Photochromic System"

    Proceedings International Congress of Imaging Science 2002, Tokyo, 2002, 266-267.

  111. Y. Wang, S. Nakamura, K. Tasaki, P. B. Balbuena,:

    "Thoeretical studies to understand surface chemistry on carbon anodes for Lithium-ion batteries: How does vinylene carbonate 4e play its role as an electrolyte additive ?"

    J. Am. Chem. Soc., 2001, 124, 4408-4421.

  112. K. Tasaki, S. Nakamura,:

    "Computer simulation of LiPF6 salt association in Li-ion battery electrolyte in the presence of an anion trapping agent"

    J. Electrochem. Soc., 2001, 148, A984-A988.

  113. Y. Wang, S. Nakamura, M. Ue, P. B. Balbuena,:

    "Theoretical studies to understand surface chemistry on carbon anodes for Lithium-ion batteries: reduction mechanisms of ethylene carbonate"

    J. Am. Chem. Soc., 2001, 123, 11708-11718.

  114. H. Miyasaka, M. Murakami, A. Itaya, D. Guillaumont, S. Nakamura, M. Irie,:

    "Multiphoton gated photochromic reaction in a diarylethene derivative"

    J. Am. Chem. Soc., 2001, 123, 753-754.

主な和文解説

  1. 中村振一郎:

    "人工光合成 実用化に向けた最新技術~水素利用・有機物合成・エネルギー・CO2還元"

    株式会社情報機構, 2013, 3, 98-110.

  2. 中村振一郎:

    "雨にぬれ風に踊る葉の中で驚異的効率をほこる光合成"

    フジサンケイビジネスアイ.

  3. 中村振一郎:

    "産業界で計算科学は如何に実践されているか - 生物、化学そして物理の計算科学 -"

    九州大学IMI, 計算科学の手引書.

  4. 中村振一郎:

    "化学の音 - 分子動力学の情報を音に変換すると!? -"

    現代化学, 東京化学同人, 2012, 5, 39-41.

  5. 中村振一郎, 横島智:

    "計算科学によるジアリールエテンの解析"

    フォトクロミズムの新展開と光メカニカル機能材料, シーエムシー出版, 2011, 11.

  6. Qi Gao, 横島智, 中村振一郎, 櫻井実:

    "フラグメント分子軌道法を用いた生体分子のNMR化学シフトの計算"

    TSUBAME e-Science Journal No. 4, 東京工業大学 学術国際情報センター, 2011, 10, 31.

  7. 藤井克司, 中村振一郎:

    "半導体で人工光合成に挑む - 光・化学エネルギー変換の実現に向けて -"

    現代化学, 東京化学同人, 2011, 10, 42-47.

  8. 横島智, 高玘, 小林高雄, 中村振一郎:

    "計算科学による物質材料と分子の設計"

    J. Comput. Chem. Jpn., 2010, 9, 1, 61-66.

  9. 中村振一郎:

    "円錐交差に関する最近の理論研究"

    光化学協会誌, 2004, 35, 2, 1221-123.

Contact

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