原著論文

[成果ハイライト] [原著論文] [総説・解説・著書] [特許出願]

原著論文

2014年度

  1. Selective Aerobic Oxidation of Primary Alcohols to Aldehydes over Nb2O5 Photocatalyst with Visible Light, Shinya Furukawa, Tetsuya Shishido, Kentaro Teramura, Tsunehiro Tanaka, ChemPhysChem, 15, 2665-2667 (2014).
  2. Unique Structural Characteristics of Tin Hydroxide Nanoparticles-Embedded Montmorillonite (Sn-Mont) Demonstrating Efficient Acid Catalysis for Various Organic Reactions, Yoichi Masui, Jiacheng Wang, Kentaro Teramura, Toshihiro Kogure, Tsunehiro Tanaka, Makoto Onaka, Micropor. Mesopor. Mater., 198, 129-138 (2014).
  3. Local Structure of Pr, Nd, and Sm Complex Oxides and Their X-ray Absorption Near Edge Structure Spectra, Hiroyuki Asakura, Tetsuya Shishido, Shingo Fuchi, Kentaro Teramura, Tsunehiro Tanaka, J. Phys. Chem. C, 118, 20881-20888 (2014).
  4. Gold Nanoparticles Coated with Manganese-Porphyrin that Effectively Shorten the Longitudinal Relaxation Time of Water Molecules Depending on the Particle Size, Yutaka Hitomi, Kazuki Aoki, Ryosuke Miyachi, Junya Ohyama, Masahito Kodera, Tsunehiro Tanaka, Fuminori Sugihara, Chem. Lett., 12, 1901-1903 (2014).
  5. Photocatalytic conversion of CO2 in water over Ag-modified La2Ti2O7, Zheng Wang, Kentaro Teramura, Saburo Hosokawa, Tsunehiro Tanaka, Appl. Catal. B: Environmental, 2014, 241-247 (2015).
  6. Visible-light-assisted selective catalytic reduction of NO with NH3 on porphyrin derivative-modified TiO2 Photocatalyst, Akira Yamamoto, Yuto Mizuno, Kentaro Teramura, Saburo Hosokawa, Tetsuya Shishido, Tsunehiro Tanaka, Catal. Sci. Technol., 5, 556-561 (2015).
  7. Photocatalytic Conversion of CO2 in an Aqueous Solution Using Various Kinds of Layered Double Hydroxides, Shoji Iguchi, Kentaro Teramura, Saburo Hosokawa, Tsunehiro Tanaka, Catal. Today, 251, 140-141 (2015).
  8. Photocatalytic Conversion of CO2 by H2O over an Ag-loaded SrO-modified Ta2O5 Photocatalyst, Kentaro Teramura, Hiroyuki Tatsumi, Wang Zheng, Saburo Hosokawa, Tsunehiro Tanaka, Bull. Chem. Soc. Jpn., 88, 431-437 (2015).
  9. Effects of SO2 on the Performance of Selective Catalytic Reduction of NO with NH3 over a TiO2 Photocatalyst, Akira Yamamoto, Kentaro Teramura, Saburo Hosokawa, Tsunehiro Tanaka, Science and Technology of Advanced Materials, 16, 024901 (2015).
  10. Support Effect on the Size and Catalytic Activity of Thiolated Au25 Nanoclusters as Precatalyst, Jun Fang, Jingguo Li, Bin Zhang, Xun Yuan, Hiroyuki Asakura, Tsunehiro Tanaka, Kentaro Teramura, Jianping Xie, Ning Yan, Nanoscale, 7, 6325-6333 (2015).
  11. Noble-Metal-Free NOx Storage over Ba-Modified TiO2 Photocatalysts under UV-Light Irradiation at Low Temperatures, Akira Yamamoto, Yuto Mizuno, Kentaro Teramura, Saburo Hosokawa, Tetsuya Shishido, Tsunehiro Tanaka, ACS Catal., 5, 2939-2943 (2015).
  12. Local Structure and L1– and L3-edge X-ray Absorption Near Edge Structure of Late Lanthanide Elements (Ho, Er, Yb) in Their Complex Oxides, Hiroyuki Asakura, Tetsuya Shishido, Kentaro Teramura, Tsunehiro Tanaka, J. Phys. Chem. C, 119, 8070-8077 (2015).
  13. Effect of Thermal Ageing on the Structure and Catalytic Activity of Pd/CeO2 Prepared Using Arc Plasma Process, S. Hinokuma, H. Fujii, Y. Katsuhara, K. Ikeue, M. Machida, Catalysis Science and Technology, 4, 2990-2996 (2014).
  14. Subnano-particle Ce catalyst prepared by pulsed arc-plasma process, S. Hinokuma, H. Kogami, N. Yamashita, Y. Katsuhara, K. Ikeue, M. Machida, Catalysis Communications, 54, 81-85 (2014).
  15. Rhodium Nanoparticle Anchoring on AlPO4 for Efficient Catalyst Sintering Suppression, M. Machida, S. Minami, K. Ikeue, S. Hinokuma, Y. Nagao, T. Sato, Y. Nakahara, Chemistry of Materials, 26, 5799-5805 (2014).
  16. Unusual Redox Behavior of Rh Supported on AlPO4 and Its Impact on Three-way Catalysis, M. Machida, S. Minami, H. Yoshida, S. Hinokuma, Y. Nagao, T. Sato, Y. Nakahara, Journal of Physical Chemistry C, 119, 373-380 (2015).
  17. Rh/ZrP2O7 as an Efficient Automotive Catalyst for NO Reduction under Slightly Lean Conditions, Y. Nagao, Y. Nakahara, T. Sato, H. Iwakura, S. Takeshita, S. Minami, H. Yoshida, M. Machida, ACS Catalysis, 5, 1986-1994 (2015).
  18. Density Functional Theory Study on Stabilization of Al13 Superatom by PVP, T. Watanabe, K. Koyasu, T. Tsukuda, J. Phys. Chem. C, 119, 10904-10909 (2015).
  19. Preferential Location of Coinage Metal Dopants (M = Ag or Cu) in [Au25-xMx(SC2H4Ph)18] (x~1) As Determined by Extended X-ray Absorption Fine Structure and Density Functional Theory Calculations, S. Yamazoe, W. Kurashige, K. Nobusada, Y. Negishi, T. Tsukuda, J. Phys. Chem. C, 118, 25284-25290 (2014).
  20. Thiolate-mediated Selectivity Control in Aerobic Alcohol Oxidation, T. Yoskamtorn, S. Yamazoe, R. Takahata, J. Nishigaki, A. Thivasasith, J. Limtrakul, T. Tsukuda, ACS Catal., 4, 3696-3700 (2014).
  21. A Face-sharing Bi-icosahedral Model for Al23, K. Koyasu, T. Tsukuda, Phys. Chem. Chem. Phys., 16, 21717-21720 (2014).
  22. Au25 Clusters Containing Unoxidized Tellurolates in the Ligand Shell, W. Kurashige, S. Yamazoe, M. Yamaguchi, K. Nishido, K. Nobusada, T. Tsukuda, Y. Negishi, J. Phys. Chem. Lett., 5, 2072-2076 (2014).
  23. A Critical Size for Emergence of Nonbulk Electronic and Geometric Structures in Dodecanethiolate-Protected Au Clusters, Y. Negishi, T. Nakazaki, S. Malola, S. Takano, Y. Niihori, W. Kurashige, S. Yamazoe, T. Tsukuda, H. R. Takahata, S. Yamazoe, K. Koyasu, T. Tsukuda, H. Häkkinen, J. Am. Chem. Soc., 137, 1206-1212 (2015).
  24. Surface Plasmon Resonance in Gold Ultrathin Nanorods and Nanowires, R. Takahata, S. Yamazoe, K. Koyasu, T. Tsukuda, J. Am. Chem. Soc., 136, 8489-8491 (2014).
  25. Selective Synthesis of Primary Amines by Reductive Amination of Ketones with Ammonia over Supported Pt catalysts, Yoichi Nakamura, Kenichi Kon, Abeda Sultana Touchy, Ken-ichi Shimizu, Wataru Ueda, ChemCatChem, 7, 921-924 (2015).
  26. Selective N-alkylation of indoles with primary alcohols using a Pt/HBEA catalyst, S. M. A. Hakim Siddiki, Kenichi Kon, Ken-ichi Shimizu, Green Chem., 17, 173-177 (2015).
  27. Substrate-Specific Heterogeneous Catalysis of CeO2 by Entropic Effects via Multiple Interactions, Masazumi Tamura, Kyoichi Sawabe, Keiichi Tomishige, Atsushi Satsuma, Ken-ichi Shimizu, ACS Catal, 5, 20−26 (2015).
  28. Synthesis of indoles via dehydrogenative N-heterocyclization by supported platinum catalysts, Sondomoyee Konika Moromi, Abeda Sultana Touchy, S. M. A. Hakim Siddiki, Md. Ayub Ali, Ken-ichi Shimizu, RSC Adv., 5, 1059-1062 (2015).
  29. Acceptorless dehydrogenative synthesis of 2-substituted quinazolines from 2-aminobenzylamine with primary alcohols or aldehydes by heterogeneous Pt catalysts, Chandan Chaudhari, S. M. A. Hakim Siddiki, Masazumi Tamura, Ken-ichi Shimizu, RSC Adv., 4, 53374-53379 (2014).
  30. Versatile and Sustainable Synthesis of Cyclic Imides from Dicarboxylic Acids and Amines by Nb2O5 as a Base-Tolerant Heterogeneous Lewis Acid Catalyst, Md. Ayub Ali, S. M. A. Hakim Siddiki, Kenichi Kon, Junya Hasegawa, Ken-ichi Shimizu, Chem. Eur. J., 20, 14256-14260 (2014).
  31. Hydrodeoxygenation of fatty acids and triglyceride by Pt-loaded Nb2O5 catalysts, Kenichi Kon, Wataru Onodera, Satoru Takakusagi, Ken-ichi Shimizu, Catal. Sci. Technol., 4, 3705-3712 (2014).
  32. Acceptorless dehydrogenative coupling of primary alcohols to esters by heterogeneous Pt catalysts, Sondomoyee Konika Moromi, S. M. A. Hakim Siddiki, Md. Ayub Ali, Kenichi Kon, Ken-ichi Shimizu, Catal. Sci. Technol., 4, 3631-3635 (2014).
  33. Versatile and sustainable alcoholysis of amides by a reusable CeO2 catalyst, S. M. A. Hakim Siddiki, Abeda Sultana Touchy, Masazumi Tamura, Ken-ichi Shimizu, RSC Adv., 4, 35803-35807 (2014).
  34. Heterogeneous Pt Catalysts for Reductive Amination of Levulinic Acid to Pyrrolidones, Abeda Sultana Touchy, S. M. A. Hakim Siddiki, Kenichi Kon, Ken-ichi Shimizu, ACS Catal., 4, 3045-3050 (2014).
  35. Selective hydrogenation of levulinic acid to valeric acid and valeric biofuels by Pt/HMFI catalyst, Kenichi Kon, Wataru Onodera, Ken-ichi Shimizu, Catal. Sci. Technol., 4, 3227-3234 (2014).
  36. Hydrogenation of levulinic acid to γ-valerolactone by Ni and MoOx co-loaded carbon catalysts, Ken-ichi Shimizu, Shota Kanno, Kenichi Kon, Green Chem., 16, 3899-3903 (2014).
  37. Cooperative H2 Activation at Ag Cluster/θ-Al2O3(110) Dual Perimeter Sites: A Density Functional Theory Study, Pussana Hirunsit, Ken-ichi Shimizu, Ryoichi Fukuda, Supawadee Namuangruk, Yoshitada Morikawa, Masahiro Ehara, J. Phys. Chem. C, 118, 7996−8006 (2014).
  38. Direct synthesis of quinazolinones by acceptorless dehydrogenative coupling of o-aminobenzamide and alcohols by heterogeneous Pt catalysts, S. M. A. Hakim Siddiki, Kenichi Kon, Abeda Sultana Touchy, Ken-ichi Shimizu, Catal. Sci. Technol., 4, 1716-1719 (2014).
  39. Sustainable Heterogeneous Platinum Catalyst for Direct Methylation of Secondary Amines by Carbon Dioxide and Hydrogen, Kenichi Kon, S. M. A. Hakim Siddiki, Wataru Onodera, Ken-ichi Shimizu, Chem. Eur. J., 20, 6264-6267 (2014).
  40. N-Alkylation of Ammonia and Amines with Alcohols Catalyzed by Ni-loaded CaSiO3, Ken-ichi Shimizu, Shota Kanno, Kenichi Kon, S. M. A. Hakim Siddiki, Hideyuki Tanaka, Yoshihisa Sakata, Catal. Today, 232, 134-138 (2014).
  41. Self-Coupling of Secondary Alcohols and α-Alkylation of Methyl Ketones with Secondary Alcohols by Pt/CeO2 Catalyst, Chandan Chaudhari, S. M. A. Hakim Siddiki, Ken-ichi Shimizu, Top. Catal., 57, 1042-1048 (2014).
  42. Fe3+-exchanged clay catalyzed transamidation of amides with amines under solvent-free condition, Md. Ayub Ali, S. M. A. Hakim Siddiki, Kenichi Kon, Ken-ichi Shimizu, Tetrahedron Letters, 55, 1316-1319 (2014).
  43. Inhibition of Ammonia Poisoning by Addition of a Small Amount of Pt to Ru/α-Al2O3 for Preferential CO Oxidation, K. Sato, S. Yagi, S. Zaitsu, G. Kitayama, Y. Kayada, K. Teramura, Y. Takita, K. Nagaoka, ChemSusChem, 7, 3264-3267 (2014).
  44. Influence of basic dopants on the activity of Ru/Pr6O11 for hydrogen production by ammonia decomposition, K. Nagaoka, T. Eboshi, N. Abe, S. Miyahara, K. Honda, K. Sato, Int. J. Hydrogen Energy, 39, 20731-20735 (2014).
  45. Synthesis and catalytic application of PVP-coated Ru nanoparticles embedded in a porous metal – organic framework, M. Sadakiyo, M. Kon-No, K. Sato, K. Nagaoka, H. Kasai, K. Kato, M. Yamauchi, Dalton Trans., 43, 11295-11298 (2014).
  46. An Efficient Cu/BaO/La2O3 Catalyst for the Simultaneous Removal of Carbon Soot and Nitrogen Oxides from Simulated Diesel Exhaust, K. Mori, Y. Iwata, M. Yamamoto, N. Kimura, A. Miyauchi, G. Okamoto, T. Toyoshima, H. Yamashita, Journal of Physical Chemistry C, 118, 9078-9085 (2014).
  47. Pt-supported Spherical Mesoporous Silica as a Nanosized Catalyst for Efficient Liquid-phase Hydrogenation, K. Mori, T. Urata, S. Okada, H. Yamashita, Topics in Catalysis, 57, 1026-1031 (2014).
  48. Visible-light-Enhanced Suzuki-Miyaura Coupling Reaction by Cooperative Photocatalysis with Ru-Pd Bimetallic Complex, K. Mori, M. Kawashima, H. Yamashita, Chemical Communications, 50, 14501-14503 (2014).
  49. Creation of Nickel-Based Active Species within a Macroreticular Acidic Resin: A Nobel-Metal-Free Heterogeneous Photocatalyst for H2 Evolution from Water, K. Mori, H. Kakudo, H. Yamashita, ACS Catalysis, 4, 4129-4135 (2014).
  50. Visible-light Driven H2 Production Utilizing Iridium and Rhodium Complexes Intercalated into Zirconium Phosphate Layered Matrix, K. Mori, J. Aoyama, M. Kawasaki, H. Yamashita, Dalton Transactions, 43, 10541-10547 (2014).
  51. Silver nanoparticles Supported on CeO2-SBA-15 by Microwave Irradiation Possessing Metal-support Interaction and Enhanced Catalytic Activity, X. Qian, Y. Kuwahara, K. Mori, H. Yamashita, Chemistry – A European Journal, 20, 15746-15752 (2014).
  52. Amine-Functionalized MIL-101(Cr) with Imbedded Platinum Nanoparticles as a Durable Photocatalyst for Hydrogen Production from Water, M. Wen, K. Mori, T. Kamegawa, H. Yamashita, Chemical Communications, 50, 11645-11648 (2014).
  53. Control of Physicochemical Properties and Catalytic activity of Tris(2,2’-bipyridine)iron(II) encapsulated within Zeolite Y cavity by Alkaline Earth Metal Cations, M. Martis, K. Mori, H. Yamashita, Dalton Transactions, 43, 1132-1138 (2014).
  54. Visible-Light-Induced Hydrogen Evolution using Ir and Rh Complexes Intercalated into Layered K4Nb6O17 as a Hybrid Heterogeneous Photocatalyst, M. Kawashima, K. Mori, J. Aoyama, H. Yamashita, Bulletin of the Chemical Society of Japan, 87, 874-881 (2014).
  55. Hydrophobic Modification of Pd/SiO2@Single-Site Mesoporous Silicas by TEFS: Enhanced Catalytic Activity and Selectivity for One-Pot Oxidation, K. Nakatsuka, K. Mori, S. Okada, S. Ikurumi, T. Kamegawa, H. Yamashita, Chemistry – A European Journal, 20, 8343-8354 (2014).
  56. Uniform Anatase Single-Crystal Cubes with Highly Thermal Stability and Fully Enclosed by Active {010} and {001} Facets, M. Wen, P. Liu, K. Mori, Y. Kuwahara, S. Xiao, H. Yamashita, H. Li, D. Zhang, RSC Advances, 5, 11029-11035 (2015).
  57. Environmental Transmission Electron Microscopy Study of Diesel Carbon Soot Combustion at Simulated Catalytic Reaction Conditions, K. Mori, T. Sato, K. Watanabe, H. Yamashita, ChemPhysChem, 16, 1347-1351 (2015).
  58. Surfactant-Free Nonaqueous Synthesis of Plasmonic Molybdenum Oxide Nanosheets with Enhanced Catalytic Activity for Hydrogen Generation from Ammonia Borane under Visible Light, H. Cheng, T. Kamegawa, K. Mori, H. Yamashita, Angewandte Chemie, International Edition, 53, 2910-2914 (2014).
  59. Fabrication of Metal Nanoparticles in Metal Organic Framework NH2-MIL-125 by UV Photo-assisted Methods for Optimized Catalytic Properties, M. Martis, W. Meicheng, K. Mori, H. Yamashita, Catalysis Today, 235, 98-102 (2014).
  60. Design of Composite Photocatalyst of TiO2 and Y-Zeolite for Degradation of 2-Propanol in the Gas Phase under UV and Visible Light Irradiation, T. Kamegawa, Y. Ishiguro, R. Kido, H. Yamashita, Molecules, 19, 16477-16488 (2014).
  61. Photocatalytic Performance of TiO2-Zeolite Templated Carbon Composites in Organic Contaminant Degradation, W. Donphai, T. Kamegawa, M. Chareonpanich, K. Nueangnoraj, H. Nishihara, T. Kyotani, H. Yamashita, Physical Chemistry Chemical Physics, 16, 25004-25007 (2014).
  62. Reactivity of Ni-Carbon Nanofibers/Mesocellular Silica Composite Catalyst for Phenylacetylene Hydrogenation, W. Donphai, T. Kamegawa, M. Chareonpanich, H. Yamashita, Industrial and Engineering Chemistry Research, 53, 10105-10111 (2014).
  63. Investigation of Pd Nanoparticles Supported on Zeolites for Hydrogen Production from Formic Acid Dehydrogenation, M. Navlani-García, M. Martis, D. Lozano-Castelló, D. Cazorla-Amorós, K. Mori, H. Yamashita, Catalysis Science and Technology, 5, 364-371 (2015).
  64. Enhancement of Pd-catalyzed Suzuki-Miyaura Coupling Reaction Assisted by Localized Surface Plasmon Resonance of Au Nanorods, M. Wen, S. Takakura, K. Fuku, K. Mori, H. Yamashita, Catalysis Today, 242, 281-385 (2015).
  65. Photocatalytic Epoxidation of Olefins Using Molecular O2 by TiO2 Incorporated in Hydrophobic Y Zeolite, Y. Kuwahara, Y. Magatani, H. Yamashita, Rapid Communication in Photoscience, 4, 16-18 (2015).
  66. Electrodeposited Ultrafine TaOx/CB Catalysts for PEFC Cathode Application: Their Oxygen Reduction Reaction Kinetics, Jeongsuk Seo, Dalaver H. Anjum, Kazuhiro Takanabe, Jun Kubota, Kazunari Domen, Electrochim. Acta, 149, 76-85 (2014).
  67. Nb-doped TiO2 cathode catalysts for oxygen reduction reaction of polymer electrolyte fuel cells, Takuya Arashi, Jeongsuk Seo, Kazuhiro Takanabe, Jun Kubota, Kazunari Domen, Catalysis Today, 233, 181-186 (2014).
  68. Particle size dependence on oxygen reduction reaction activity of electrodeposited TaOx catalysts in acidic media, Jeongsuk Seo, Dongkyu Cha, Kazuhiro Takanabe, Jun Kubota, Kazunari Domen, Phys. Chem. Chem. Phys., 16, 895-898 (2014).
  69. Enhanced CO Oxidation Activity of Ni@Ag Core-Shell Nanoparticles, Y. Mahara, H. Ishikawa, J. Ohyama, K. Sawabe, Y. Yamamoto, S. Arai, A. Satsuma, Chem. Lett., 43, 910-912 (2014).
  70. Conversion of 5-Hydroxymethylfurfural to a Cyclopentanone Derivative by Ring Rearrangement over Supported Au Nanoparticles, J. Ohyama, R. Kanao, A. Esak, A. Satsuma, Chem. Commun., 50, 5633-5636 (2014).
  71. Promotion of low-temperature oxidation of CO over Pd supported on titania-coated ceria, A. Satsuma, M. Yanagihara, K. Osaki, Y. Saeki, H. Liu, Y. Yamamoto, S. Arai, J. Ohyama, RSC Adv., 4, 54187-54193 (2014).
  72. Effect of preparation method of Co-promoted Pd/alumina for methane combustion, A. Satsuma, T. Tojo, K. Okuda, Y. Yamamoto, S. Arai, J. Oyama, Catal. Today, 242, 308-314 (2015).
  73. Automotive Three Way Catalytic Activity of Fe-Ni/Ceria A. Satsuma, K. Ueda, Y. Ito, C. A. Ang, J. Ohyama, Chem. Lett., 44, 703-705 (2015).
  74. Gold Nanoparticles Coated with Manganese-Porphyrin That Effectively Shorten the Longitudinal Relaxation Time of Water Molecules Depending on the Particle Size, Y. Hitomi, K. Aoki, R. Miyachi, J. Ohyama, M. Kodera, T. Tanaka, F. Sugihara, Chem. Lett., 43, 1901-1903 (2014).
  75. Density-functional theoretical study on the role of Lewis and Brønsted acid sites on CeO2 (110) surfaces for nitrile hydration, K. Sawabe, Y. Yoshikawa, A. Satsuma, Top. Catal., 57, 1094-1102 (2014).
  76. Stabilization of bare divalent Fe(II) cations in Al-rich beta zeolites for superior NO adsorption, Masaru Ogura, Keiji Itabashi, Jiri Dedecek, Tatsuki Onkawa, Yumiko Shimada, Koutarou Kawakami, Kenzo Onodera, Shinnosuke Nakamura, Tatsuya Okubo, J. Catal., 315, 1-5 (2014).
  77. Theoretical investigation of novel two-step decomposition of nitric oxide over Fe(II) ion-exchanged zeolites using DFT calculations, Koutarou Kawakami, Masaru Ogura, Catal. Today, 242, 343-350 (2015).
  78. Dehydrogenation of Propane over Silica-Supported Platinum-Tin Catalysts Prepared by Direct Reduction: Effects of Tin/Platinum Ratio and Reduction Temperature, Lidan Deng, Hiroki Miura, Tetsuya Shishido, Saburo Hosokawa, Kentaro Teramura, Tsunehiro Tanaka, ChemCatChem, 6, 2680-2691 (2014).
  79. Coupling of carboxylic acids with internal alkynes by supported ruthenium catalysts: direct and selective syntheses of multi-substituted phthalide derivatives, Hiroki Miura, Kentaro Tsutsui, Kenji Wada, Tetsuya Shishido, Chemical Communications, 51, 1654-1657 (2015).
  80. Pseudo Jahn-Teller origin of distortion in [6]cycloparaphenylene, Yuichiro Kameoka, Tohru Sato, Takahiko Koyama, Kazuyoshi Tanaka, Tatsuhisa Kato, Chem. Phys. Lett., 598, 69-74 (2014).
  81. A light-emitting mechanism for organic light-emitting diodes: molecular design for inverted singlet-triplet structure and symmetry-controlled thermally activated delayed fluorescence, Tohru Sato, Motoyuki Uejima, Kazuyoshi Tanaka, Hironori Kaji, Chihaya Adachi, J. Mater. Chem. C, 3, 870-878 (2015).
  82. A designed fluorescent anthracene derivative: Theory, calculation, synthesis, and characterization, Motoyuki Uejima, Tohru Sato, Masahiro Detani, Atsushi Wakamiya, Furitsu Suzuki, Hajime Suzuki, Tatsuya Fukushima, Kazuyoshi Tanaka, Yasujiro Murata, Chihaya Adachi, Hironori Kaji, Chem. Phys. Lett., 602, 80-83 (2014).
  83. Quantum yield in blue-emitting anthracene derivatives: vibronic coupling density and transition dipole moment density, Motoyuki Uejima, Tohru Sato, Daisuke Yokoyama, Kazuyoshi Tanaka, Jong-Wook Park, Phys. Chem. Chem. Phys., 16, 14244-14256 (2014).
  84. Reactivity of Endohedral Metallofullerene La2@C80 in Nucleophilic and Electrophilic Attacks: Vibronic Coupling Density Approach, Naoki Haruta, Tohru Sato, Kazuyoshi Tanaka, J. Org. Chem., 80, 141-147 (2015).
  85. Enhanced Electroluminescence from a Thermally Activated Delayed-FluorescenceEmitter by Suppressing Nonradiative Decay, Katsuyuki Shizu, Motoyuki Uejima, Hiroko Nomura, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji, Chihaya Adachi, Phys. Rev. Appl., 3, 014001 (7 pages) (2015).
  86. Strategy for Designing Electron Donors for Thermally Activated Delayed Fluorescence Emitters, Katsuyuki Shizu, Hiroyuki Tanaka, Motoyuki Uejima, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji, Chihaya Adachi, J. Phys. Chem. C, 119, 1291-1297 (2015).
  87. Reactivity Index for Diels-Alder Cycloadditions to Large Polycyclic Aromatic Hydrocarbons Using Vibronic Coupling Density, Naoki Haruta, Tohru Sato, Kazuyoshi Tanaka, Tetrahedron Lett., 56, 590-594 (2015).
  88. Low-Lying Electronic States in Bismuth Trimer Bi3 As Revealed by Laser Induced NIR-Emission Spectroscopy in Solid Ne, Tomonari Wakabayashi, Yoriko Wada, Kyo Nakajima, Yusuke Morisawa, Susumu Kuma, Yuki Miyamoto, Noboru Sasao, Motohiko Yoshimura, Tohru Sato, Kentarou Kawaguchi, J. Phys. Chem. A, 119, 2644-2650 (2015).
  89. Fluorescent triphenylamine derivative: Theoretical design based on reduced vibronic coupling, Yuichiro Kameoka, Masashi Uebe, Akihiro Ito, Tohru Sato, Kazuyoshi Tanaka, Chem. Phys. Lett., 615, 44-49 (2014).
  90. Regioselectivity in multiple cycloadditions to fullerene C60: vibronic coupling density analysis, Naoki Haruta, Tohru Sato, Kazuyoshi Tanaka, Tetrahedron, 70, 3510-3513 (2014).
  91. Rhodium-catalyzed Borylation of Aryl and Alkenyl Pivalates through the Cleavage of Carbon-Oxygen Bonds, Hirotaka Kinuta, Junya Hasegawa, Mamoru Tobisu, Naoto Chatani, Chem. Lett., 44, 366-368 (2015)
  92. Nickel-catalyzed borylation of arenes and indoles via C-H bond cleavage, Takayuki Furukawa, Mamoru Tobisu, Naoto Chatani, Chemical Communications, 51, 6508-6511 (2015).
  93. Nickel-Catalyzed Reductive Cleavage of Aryl Alkyl Ethers to Arenes in Absence of External Reductant, Mamoru Tobisu, Toshifumi Morioka, Akimichi Ohtsuki, Naoto Chatani, Chem. Sci., 6, 3410-3414 (2015).
  94. Theoretical Studies of Rhodium-Catalyzed Borylation of Nitriles through Cleavage of Carbon-Cyano Bonds, Hirotaka Kinuta, Hiroaki Takahashi, Mamoru Tobisu, Seiji Mori, Naoto Chatani, Bull. Chem. Soc. Jpn., 87, 655-669 (2014).
  95. Novel Frequency Tunable CRLH-TL for Reconfigurable Wireless Systems, H. Mizutani, R. Ishikawa, K. Honjo, Proceedings of International Conference on Electromagnetics in Advanced Applications 2014, 434-437, August (2014).
  96. Iron-Catalyzed Suzuki-Miyaura Coupling Reaction of Unactivated Alkyl Halides with Lithium Alkynylborates, N. Nakagawa, T. Hatakeyama, M. Nakamura, Chem. Lett., 44, 486-488 (2015).
  97. Synthesis of 2,7-Disubstituted 5,10-Diaryl-5,10-dihydrophenazines via Iron-Catalyzed Intramolecular Ring-Closing C-H Amination, Y. Aoki, R. Imayoshi, T. Hatakeyama, H. Takaya, M. Nakamura, Heterocycles, 90, 893-900 (2015).
  98. Iron-Catalyzed Diboration and Carboboration of Alkynes, N. Nakagawa, T. Hatakeyama, M. Nakamura, Chem. Eur. J., 21, 4257-4261 (2015).
  99. Investigation of Organoiron Catalysis in Kumada-Tamao-Corriu-Type Cross-Coupling Reaction Assisted by Solution-Phase X-ray Absorption Spectroscopy, H. Takaya, S. Nakajima, N. Nakagawa, K. Isozaki, T. Iwamoto, R. Imayoshi, N. J. Gower, L. Adak, T. Hatakeyama, T. Honma, N. Takagaki, Y. Sunada, H. Nagashima, D. Hashizume, O. Takahashi, M. Nakamura, Bull. Chem. Soc. Jpn., 88, 410-418 (2015).
  100. Triplet-Energy Control of Polycyclic Aromatic Hydrocarbons by BN Replacement: Development of Ambipolar Host Materials for Organic Light-Emitting Diodes, S. Hashimoto, T. Ikuta, K. Shiren, S. Nakatsuka, J. Ni, M. Nakamura, T. Hatakeyama, Chem. Mater., 26, 6265-6271 (2014).
  101. Construction of a Highly Distorted Benzene Ring in a Double Helicene, S. Hashimoto, S. Nakatsuka, M. Nakamura, T. Hatakeyama, Angew. Chem. Int. Ed., 53, 14074-14076 (2014).
  102. Potassium hexatitanate photocatalysts prepared by a flux method for water splitting, H. Yoshida, M. Takeuchi, M. Sato, L. Zhang, T. Teshima, M. G. Chaskar, Catal. Today, 232, 158-164 (2014).
  103. Direct introduction of OH group to sp2-carbon on platinum-loaded titanium oxide photocatalyst, H. Yuzawa, H. Yoshida, Topics in Catal., 57, 984-994 (2014).
  104. A Pentakis-fused Tetrathiafulvalene System Extended by Cyclohexene-1,4-diylidenes: A New Positive Electrode Material for Rechargeable Batteries Utilizing Ten-electrons Redox, Minami Kato, Ken-ichiro Senoo, Masatu Yao, Yohji Misaki, J. Mater. Chem. A, 2, 6747-6754 (2014).
  105. Cyclic TTF Tetramer Linked by Methylenedithio Spacers, Ken-ichi Nakamura, Yuuki Okada, Takashi Shirahata, Yohji. Misaki, Chem. Lett., 43, 708-710 (2014).
  106. Dendritic Tetrathiafulvalene Pentamers Linked by Methylenedithio Spacers, Haruka Kimura, Katsuya Konishi, Shun-ya Muraoka, Takashi Shirahata, Yohji Misaki, Chem. Lett., 43, 843-845 (2014).
  107. Molecular Conductors with Effectively Half-Filled Electronic States Based on Tetrathiafulvalene Derivatives Condensed with a 2-Isopropylidene-1,3-dithiole Ring, Keisuke Furuta, Shuhei Kohno, Takashi Shirahata, Yohji Misaki, Eur. J. Inorg. Chem., 3982-3988 (2014).
  108. Synthesis and Properties of Fused π-Electron Donors Possessing Vinylogous 1,3-Dithole[5]radialene Units, Takashi Matsuda, Masafumi Ueda, Rina Kondo, Mizuka Suwaki, Yohji Misaki, Bull. Chem. Soc. Jpn., 88, 850-856 (2015).
  109. Structural, magnetic and electrochemical investigation of novel binary Na2-x(Fe1-yMny)P2O7 (0<y<1) pyrophosphate compounds for rechargeable sodium-ion batteries, Prabeer Barpanda, Guandong Liu, Zakiah Mohamed, Chris D. Ling, Atsuo Yamada, Solid State Ionics, 268, 305-311 (2014).
  110. Defect induced sodium disorder and ionic conduction mechanism in Na1.82Mg1.09P2O7, Guandong Liu, Shin-ichi Nishimura, Sai-Cheong Chung, Kotaro Fujii, Masatomo Yashima, Atsuo Yamada, J. Mater. Chem. A, 2, 18353-18359 (2014).
  111. Electrochemical properties of heterosite FePO4 in aqueous Mg2+ electrolytes, Gosuke Oyama, Shin-ichi Nishimura, Sai-Cheong Chung, Masashi Okubo, Atsuo Yamada, Electrochemistry, 82, 855-858 (2014).
  112. t-Na2(VO)P2O7: A 3.8 V pyrophosphate insertion material for sodium-ion batteries, Prabeer Barpanda, Guandong Liu, Maxim Avdeev, Atsuo Yamada, ChemElectroChem, 1, 1488-1491 (2014).
  113. A 3.8-V earth-abundant sodium battery electrode, Prabeer Barpanda, Gosuke Oyama, Shin-ichi Nishimura, Sai-Cheong Chung, Atsuo Yamada, Nat. Commun., 5, 4358 (8 pages) (2014).
  114. Iron-based materials strategies, Atsuo Yamada, MRS Bull., 39, 423-428 (2014).
  115. Pseudocapacitance of MXene nanosheets for high-power sodium-ion hybrid capacitors, Xianfen Wang, Satoshi Kajiyama, Hiroki Iinuma, Eiji Hosono, Shinji Oro, Isamu Moriguchi, Masashi Okubo, Atsuo Yamada, Nature Commun., 6, 6544 (6 pages) (2015).
  116. An alluaudite Na2+2xFe2-x(SO4)3 (x=0.2) derivative phase as insertion host for lithium battery, Jun Ming, Prabeer Barpanda, Shin-ichi Nishimura, Masashi Okubo, Atsuo Yamada, Electrochem. Commun., 51, 19-22 (2015).
  117. Iron-Oxalato Framework with One-Dimensional Open Channels for Electrochemical Sodium-Ion Intercalation, Xianfen Wang, Ryosuke Kurono, Shin-ichi Nishimura, Masashi Okubo, Atsuo Yamada, Chem. Eur. J., 21, 1096-1101 (2015).
  118. Sodium-ion battery cathodes Na2FeP2O7 and Na2MnP2O7: diffusion behavior for high rate performance, John M. Clark, Prabeer Barpanda, Atsuo Yamada, M. Saiful Islam, J. Mater. Chem. A, 2, 11807-11812 (2014).
  119. Phosphorus Electrodes in Sodium Cells: Small Volume Expansion by Sodiation and the Surface-Stabilization Mechanism in Aprotic Solvent, Naoaki Yabuuchi, Yuta Matsuura, Toru Ishikawa, Satoru Kuze, Jin-Young Son, Yi-Tao Cui, Hiroshi Oji, Shinichi Komaba, ChemElectroChem, 1, 580-589 (2014).
  120. New O2/P2-type Li-Excess Layered Manganese Oxides as Promising Multi-Functional Electrode Materials for Rechargeable Li/Na Batteries, Naoaki Yabuuchi, Ryo Hara, Masataka Kajiyama, Kei Kubota, Toru Ishigaki, Akinori Hoshikawa, Shinichi Komaba, Advanced Energy Materials, 4, 1301453 (23 pages) (2014).
  121. New Electrode Material for Rechargeable Sodium Batteries: P2-type Na2/3[Mg0.28Mn0.72]O2 with Anomalously High Reversible Capacity, Naoaki Yabuuchi, Ryo Hara, Kei Kubota, Jens Paulsen, Shinichi Kumakura, Shinichi Komaba, Journal of Materials Chemistry A, 2, 16851-16855 (2014).
  122. Sodium carboxymethyl cellulose as a potential binder for hard carbon negative electrodes in sodium-ion batteries, Mouad Dahbi, Takeshi Nakano, Naoaki Yabuuchi, Toru Ishikawa, Kei Kubota, Mika Fukunishi, Sota Shibahara, Jin-Young Son, Yi-Tao Cui, Hiroshi Oji, Shinichi Komaba, Electrochemistry Communications, 44, 66-69 (2014).
  123. Na2CoPO4F as a High-voltage Electrode Material for Na-ion Batteries, Kei Kubota, Kazuki Yokoh, Naoaki Yabuuchi, Shinichi Komaba, Electrochemistry, 82, 909-911 (2014).
  124. New Insight into Structural Evolution in Layered NaCrO2 during Electrochemical Sodium Extraction, Kei Kubota, Issei Ikeuchi, Tetsuri Nakayama, Chikara Takei, Naoaki Yabuuchi, Hiromasa Shiiba, Masanobu Nakayama, Shinichi Komaba, Journal of Physical Chemistry C, 119, 166-175 (2015).
  125. Combined Computational and Experimental Study of Li Exchange Reaction at the Surface of Spinel LiMn2O4 as a Rechargeable Li-ion Battery Cathode, M. Nakayama, H. Taki, T. Nakamura, S. Tokuda, R. Jalem, T. Kasuga, J. Phys. Chem. C, 118, 27245-27251 (2014).
  126. Alkali Ion Transport in Tavorite-Type ABTO4X (A: Li, Na; B-T: Al-P, Mg-S; X: F), R. Jalem, M. Nakayama, T. Kasuga, Electrochem., 82, 851-854 (2014).
  127. Solvent Activity in Electrolyte Solutions Controls Electrochemical Reactions in Li-Ion and Li-Sulfur Batteries, Heejoon Moon, Toshihiko Mandai, Ryoichi Tatara, Kazuhide Ueno, Azusa Yamazaki, Kazuki Yoshida, Shiro Seki, Kaoru Dokko, Journal of Physical Chemistry C, 119, 3957-3970 (2015).
  128. Effect of Ionic Size on Solvate Stability of Glyme-Based Solvate Ionic Liquids, Toshihiko Mandai, Kazuki Yoshida, Seiji Tsuzuki, Risa Nozawa, Hyuma Masu, Kazuhide Ueno, Kaoru Dokko, Masayoshi Watanabe, Journal of Physical Chemistry B, 119, 1523-1534 (2015).
  129. Pentaglyme-K Salt Binary Mixtures: Phase Behavior, Solvate Structures, and Physicochemical Properties, Toshihiko Mandai, Seiji Tsuzuki, Kazuhide Ueno, Kaoru Dokko, Masayoshi Watanabe, Physical Chemistry Chemical Physics, 17, 2838-2849 (2015).
  130. Mechanism of Li Ion Desolvation at the Interface of Graphite Electrode and Glyme-Li Salt Solvate Ionic Liquids, Heejoon Moon, Ryoichi Tatara, Toshihiko Mandai, Kazuhide Ueno, Kazuki Yoshida, Naoki Tachikawa, Tomohiro Yasuda, Kaoru Dokko, Masayoshi Watanabe, Journal of Physical Chemistry C, 118, 20246-20256 (2014).
  131. Physicochemical Properties of Pentaglyme-Sodium Bis(trifluoromethanesulfonyl)amide Solvate Ionic Liquid, Shoshi Terada, Toshihiko Mandai, Risa Nozawa, Kazuki Yoshida, Kazuhide Ueno, Seiji Tsuzuki, Kaoru Dokko, Masayoshi Watanabe, Physical Chemistry Chemical Physics, 16, 11737-11746 (2014).
  132. Reversible Electrochemical Insertion/Extraction of Mg and Li Ions for Orthorhombic Mo9Se11 with Cluster Structure, K. Taniguchi, T. Yoshino, Y. Gu, Y. Katsura, H. Takagi, J. Electrochem. Soc., 162, A198-A202 (2015).
  133. The Na[FSA]-[C2C1im][FSA](C2C1im+:1-ethyl-3-methylimidazolium and FSA-: bis(fluorosulfonyl)amide) ionic liquid electrolytes for sodium secondary batteries, Kazuhiko Matsumoto, Takafumi Hosokawa, Toshiyuki Nohira, Rika Hagiwara, Atsushi Fukunaga, Koma Numata, Eiko Itani, Shoichiro Sakai, Koji Nitta, Shinji Inazawa, Journal of Power Sources, 265, 36-39 (2014).
  134. Improved cyclability of Sn-Cu film electrode for sodium secondary battery using inorganic ionic liquid electrolyte, Takayuki Yamamoto, Toshiyuki Nohira, Rika Hagiwara, Atsushi Fukunaga, Shoichiro Sakai, Koji Nitta, Shinji Inazawa, Electrochimica Acta, 135, 60-67 (2014).
  135. Charge-discharge behavior of a Na2FeP2O7 positive electrode in an ionic liquid electrolyte between 253-363 K, Chih-Yao Chen, Kazuhiko Matsumoto, Toshiyuki Nohira, Changsheng Ding, Takayuki Yamamoto, Rika Hagiwara, Electrochimica Acta, 133, 583-588 (2014).
  136. Na2MnSiO4 as a positive electrode material for sodium secondary batteries using an ionic liquid electrolyte, Chih-Yao Chen, Kazuhiko Matsumoto, Toshiyuki Nohira, Rika Hagiwara, Electrochemistry Communications, 45, 63-66 (2014).
  137. Full utilization of superior charge-discharge characteristics of Na1.56Fe1.22P2O7 positive electrode by using ionic liquid electrolyte, Chih-Yao Chen, Kazuhiko Matsumoto, Toshiyuki Nohira, Rika Hagiwara, Journal of Electrochemical Society, 162, A176-A180 (2015).
  138. Charge-discharge performance of an ionic liquid-based sodium secondary battery in a wide temperature range, Changsheng Ding, Toshiyuki Nohira, Atsushi Fukunaga, Rika Hagiwara, Electrochemistry, 83, 91-94 (2015).
  139. Thermal and Transport Properties of Na[N(SO2F)2]−[N-Methyl-N-propylpyrrolidinium][N(SO2F)2] Ionic Liquids for Na Secondary Batteries, Kazuhiko Matsumoto, Yu Okamoto, Toshiyuki Nohira, Rika Hagiwara, Journal of Physical Chemistry C, 119, 7648-7655 (2015).
  140. Efficiency of Perturbation-Selection and Orbital Dependence in the SAC-CI Calculations for Valence Excitations of Medium-Size Molecules, R. Fukuda, M. Ehara, J. Comput. Chem., 35, 2163-2176 (2014).
  141. C-Cl Bond Activation on Bimetallic Au/Pd Bimetallic Nanocatalysts Studied by Density Functional Theory and Genetic Algorithm Calculations, B. Boekfa, E. Pahl, N. Gaston, H. Sakurai, J. Limtrakul, M. Ehara, J. Phys. Chem. C, 118, 22188-22196 (2014).
  142. An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster–configuration interaction method: The accuracy of excitation energies and intuitive charge-transfer indices, R. Fukuda, M. Ehara, J. Chem. Phys., 141, 154104 (11 pages) (2014).
  143. Benchmark Study on the Triplet Excited State Geometries and Phosphorescence of Heterocyclic Compounds: Comparison between TD-PBE0 and SAC-CI, D. Bousquet, R. Fukuda, D. Jacquemin, I. Ciofini, C. Adamo, M. Ehara, J. Chem. Theory Comp., 10, 3969-3979 (2014).
  144. Halogen Exchange by Reaction of CpRu(PPh3)2Cl with MeC(O)X (X=Br, I) and Its Mechanistic Study, H. Kuniyasu, A. Sanagawa, T. Nakajima, T. Iwasaki, N. Kambe, K. Bobuatong, M. Ehara, J. Organometallic Chem., 769, 34-37 (2014).
  145. Coupled-Cluster Interpretation of the Photoelectron Spectrum of Au3, N. Bauman, J. A. Hansen, M. Ehara, P. Piecuch, J. Chem. Phys., 141, 101102 (5 pages) (2014).
  146. Rydberg and π-π*Transitions in Film Surfaces of Various Kinds of Nylons Studied by Attenuated Total Reflection-Far-Ultraviolet Spectroscopy and Quantum Chemical Calculations: Peak Shifts in the Spectra and Their Relation to Nylon Structure and Hydrogen Bondings, Y. Morisawa, M. Yasugana, H. Sato, R. Fukuda, M. Ehara, Y. Ozaki, J. Phys. Chem. B, 118, 11855-11861 (2014).
  147. Experimental and Theoretical Study on the Excited-State Dynamics of ortho-, meta-, and para-Methoxy Methylcinnamate, Y. Miyazaki, K. Yamamoto, J. Aoki, T. Ikeda, Y. Inokuchi, M. Ehara, T. Ebata, J. Chem. Phys., 141, 244313 (12 pages) (2014).
  148. Proton-Induced Generation of Remote N-Heterocyclic Carbene-Ru Complexes, T. Fukushima, R. Fukuda, K. Kobayashi, G. F. Caramori, G. Frenking, M. Ehara, K. Tanaka, Chem. Eur. J., 21, 106-110 (2015).
  149. Adsorption and catalytic activation of the molecular oxygen on the metal supported h-BN, A. Lyalin, A. Nakayama, K. Uosaki, T. Taketsugu, Topics in Catalysis, 57, 1032-1041 (2014).
  150. Application of automated reaction path search methods to a systematic search of single-bond activation pathways catalyzed by small metal clusters: A case study on H-H activation by gold, M. Gao, A. Lyalin, S. Maeda, T. Taketsugu, J. Chem. Theory Comp., 10, 1623-1630 (2014).
  151. Boron nitride nanosheet on gold as an electrocatalyst for oxygen reduction reaction – theoretical suggestion and experimental proof, K. Uosaki, G. Elumalai, H. Noguchi, T. Masuda, A. Lyalin, A. Nakayama, T. Taketsugu, J. Am. Chem. Soc., 136, 6542-6545 (2014).
  152. Solvatochromic Shift of Brooker’s Merocyanine: Hartree-Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect, Takuya Wada, Hiroshi Nakano, Hirofumi Sato, J. Chem. Theory Comput., 10, 4535-4547 (2014).
  153. Development of three-dimensional site-site Smoluchowski-Vlasov equation and application to electrolyte solutions, Kento Kasahara, Hirofumi Sato, J. Chem. Phys., 140, 244110 (7 pages) (2014).
  154. Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces, F. Muttaqien, Y. Hamamoto, K. Inagaki, Y. Morikawa, J. Chem. Phys., 141, 034702 (6 pages) (2014).
  155. Search for a Self-Regenerating Perovskite Catalyst with Ab Initio Thermodynamics II: Cu-Doped Layered Perovskites with K2NiF4, S. Yanagisawa, A. Takeda, K. Inagaki, I. Hamada, Y. Morikawa, Catal. Lett., 144, 736-743 (2014).
  156. Cooperative H2 Activation at Ag Cluster/θ-Al2O3(110) Dual Perimeter Sites: A Density Functional Theory Study, P. Hirunsit, K.-i. Shimizu, R. Fukuda, S. Namuangruk, Y. Morikawa, M. Ehara, J. Phys. Chem. C, 118, 7996-8006 (2014).
  157. Unusual Stability of Acetonitrile-Based Superconcentrated Electrolytes for Fast-Charging Lithium-Ion Batteries, Y. Yamada, K. Furukawa, K. Sodeyama, K. Kikuchi, M. Yaegashi, Y. Tateyama, A. Yamada, J. Am. Chem. Soc., 136, 5039-5046 (2014).
  158. Sacrificial Anion Reduction Mechanism for Electrochemical Stability Improvement in Highly Concentrated Li-Salt Electrolyte, Keitaro Sodeyama, Yuki Yamada, Koharu Aikawa, Atsuo Yamada, Yoshitaka Tateyama, J. Phys. Chem. C, 118, 14091-14097 (2014).
  159. Acetonitrile Solution Effect on Ru N749 Dye Adsorption and Excitation at TiO2 Anatase Interface, Y. Tateyama, M. Sumita, Y. Ootani, K. Aikawa, R. Jono, L. Han, K. Sodeyama, J. Phys. Chem. C, 118, 16863-16871 (2014).
  160. Arylpyrrole oligomers as tunable anion receptors, W. Van Rossom, T. G. Terentyeva, K. Sodeyama, Y. Matsushita, Y. Tateyama, K. Ariga, J. P. Hill, Org. Biomol. Chem., 12, 5492-5499 (2014).
  161. Space-Charge Layer Effect at Interface between Oxide Cathode and Sulfide Electrolyte in All-Solid-State Lithium-Ion Battery, J. Haruyama, K. Sodeyama, L. Han, K. Takada, Y. Tateyama, Chem. Mater., 26, 4248-4255 (2014).
  162. A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution, Z. Futera, K. Sodeyama, J. Burda, Y. Einaga, Y. Tateyama, Phys. Chem. Chem. Phys., 16, 19530-19539 (2014).
  163. Termination Dependence of Tetragonal CH3NH3PbI3 Surfaces for Perovskite Solar Cells, J. Haruyama, K. Sodeyama, L. Han, Y. Tateyama, J. Phys. Chem. Lett., 5, 2903-2909 (2014).
  164. Possibility of NCS Group Anchor for Ru Dye Adsorption to Anatase TiO2(101) Surface: A Density Functional Theory Investigation, Y. Ootani, K. Sodeyama, L. Han, Y. Tateyama, J. Phys. Chem. C, 119, 234-241 (2015).
  165. Molecular Dynamics Study of Two-Dimensional Sum Frequency Generation Spectra at Vapor/Water Interface, Tatsuya Ishiyama, Akihiro Morita, Tahei Tahara, J. Chem. Phys., 142, 212407 (13 pages) (2015).
  166. Why is Benzene Soluble in Water? Role of OH/π Interaction in Solvation, Hideaki Takahashi, Daiki Suzuoka, Akihiro Morita, J. Chem. Theory Comput., 11, 1181-1194 (2015).
  167. Molecular Dynamics Analysis of NaOH Aqueous Solution Surface and the Sum Frequency Generation Spectra: Is Surface OH- Detected by SFG Spectroscopy, Takako Imamura, Tatsuya Ishiyama, Akihiro Morita, J. Phys. Chem. C, 118, 29017-29027 (2014).
  168. A Direct Evidence of Vibrationally Delocalized Response at Ice Surface, Tatsuya Ishiyama, Akihiro Morita, J. Chem. Phys., 141, 18C503 (4 pages) (2014).
  169. Theory and Efficient Computation of Differential Vibrational Spectra, Suguru Sakaguchi, Tatsuya Ishiyama, Akihiro Morita, J. Chem. Phys., 140, 144109 (13 pages) (2014).
  170. Computation of the Free Energy due to Electron Density Fluctuation of a Solute in Solution: A QM/MM Method with Perturbation Approach Combined with a Theory of Solutions, Daiki Suzuoka, Hideaki Takahashi, Akihiro Morita, J. Chem. Phys., 140, 134111 (12 pages) (2014).
  171. Theoretical Studies of Structures and Vibrational Sum Frequency Generation Spectra at Aqueous Interfaces, Tatsuya Ishiyama, Takako Imamura, Akihiro Morita, Chem. Rev., 114, 8447-8470 (2014).
  172. Theoretical study on excess-electron transfer in DNA based on the Marcus theory, Y. Takada, M. Okoshi, M. Hoshino, A. Ishikawa, M. Ishikawa, H. Nakai, J. Comput. Chem. Jpn., 13, 242-249 (2014).
  173. Quantum chemical approach for condensed-phase thermochemistry: Proposal of a harmonic solvation model, H. Nakai, A. Ishikawa, J. Chem. Phys., 141, 174106 (9 pages) (2014).
  174. Acceleration of self-consistent field convergence in ab initio molecular dynamics simulation with multi-configurational wave function, M. Okoshi, H. Nakai, J. Comput. Chem., 35, 1473-1480 (2014).
  175. Extension of accompanying coordinate expansion and recurrence relations method for general-contraction basis sets, M. Hayami, J. Seino, H. Nakai, J. Comput. Chem., 35, 1517-1527 (2014).
  176. Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units, T. Yoshikawa, H. Nakai, J. Comput. Chem., 36, 164-170 (2015).
  177. Linearity condition for orbital energies in density functional theory (V): Extension to excited state calculations, Y. Imamura, K. Suzuki, T. Iizuka, H. Nakai, Chem. Phys. Lett., 618, 30-36 (2015).
  178. Local response dispersion method in periodic systems: Implementation and assessment, Y. Ikabata, Y. Tsukamoto, Y. Imamura, H. Nakai, J. Comput. Chem., 36, 303-311 (2015).
  179. Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals, D. Cho, K. C. Ko, Y. Ikabata, K. Wakayama, T. Yoshikawa, H. Nakai, J. Y. Lee, J. Chem. Phys., 142, 024318 (7 pages) (2015).
  180. Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules, A. Ishikawa, H. Nakai, Chem. Phys. Letters, 624, 6-11 (2015).
  181. Structure Determination of Au18(SR)14, A. Das, C. Liu, H. Y. Byun, K. Nobusada, S. Zhao, N. L. Rosi, R. Jin, Angew. Chem. Int. Ed., 54, 3140-3144 (2015).
  182. Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster, A. Das, T. Li, G. Li, K. Nobusada, C. Zeng, N. L. Rosi, R. Jin, Nanoscale, 6, 6458-6462 (2014).
  183. Dual Approach to Vibrational Spectra in Solution: Microscopic Influence of Hydrogen Bonding to the State of Motion of Glycine in Water, Y. Kitamura, N. Takenaka, Y. Koyano, M. Nagaoka, J. Chem. Theory Comp., 10, 3369-3379 (2014).
  184. Comparative Study on the Properties of Hydration Water of Na- and K-Halide Ions by Raman OH/OD-stretching Spectroscopy and Dielectric Relaxation Data, Y. Okazaki, T. Taniuchi, G. Mogami, N. Matubayasi, M. Suzuki, J. Phys. Chem. A, 118, 2922-2930 (2014).
  185. Preferential Solvation: Dividing Surface vs Excess Numbers, S. Shimizu, N. Matubayasi, J. Phys. Chem. B, 118, 3922-3930 (2014).
  186. ERmod: Fast and Versatile Computation Software for Solvation Free Energy with Approximate Theory of Solutions, S. Sakuraba, N. Matubayasi, J. Comput. Chem., 35, 1592-1608 (2014).
  187. Spatial-decomposition analysis of electrical conductivity in concentrated electrolyte solution, K.-M. Tu, R. Ishizuka, N. Matubayasi, J. Chem. Phys., 141, 044126 (9 pages) (2014).
  188. Hydrotropy: Monomer-Micelle Equilibrium and Minimum Hydrotrope Concentration, S. Shimizu, N. Matubayasi, J. Phys. Chem. B, 118, 10515-10524 (2014).
  189. Gelation: The Role of Sugars and Polyols on Gelatin and Agarose, S. Shimizu, N. Matubayasi, J. Phys. Chem. B, 118, 13210-13216 (2014).
  190. Spatial-decomposition analysis of electrical conductivity in ionic liquid, K.-M. Tu, R. Ishizuka, N. Matubayasi, J. Chem. Phys., 141, 244507 (11 pages) (2014).
  191. Finite-Size Effect on the Charging Free Energy of Protein in Explicit Solvent, T. Ekimoto, N. Matubayasi, M. Ikeguchi, J. Chem. Theory Comput., 11, 215-223 (2015).
  192. Energetic Contributions from the Cation and Anion to the Stability of Carbon Dioxide Dissolved in Imidazolium-Based Ionic Liquids, R. Ishizuka, N. Matubayasi, K.-M. Tu, Y. Umebayashi, J. Phys. Chem. B, 119, 1579-1587 (2015).
  193. Effect of diffuseness of micelle boundary on the solute distribution upon solubilization, T. Mizuguchi, R. Ishizuka, N. Matubayasi, Chem. Phys. Lett., 624, 19-23 (2015).
  194. Effect of Rotational Couplings on Vibrational Spectrum Line Shape of the Bending Mode in Low-Density Supercritical Water: Density and Hydrogen Isotopes Dependencies, K. Yoshida, N. Matubayasi, Y. Uosaki, M. Nakahara, J. Solution Chem., 43, 1499-1508 (2014).
  195. DFT study of CO oxidation over Au/TiO2(110): The extent of the reactive perimeter zone, H. Koga, K. Tada, M. Okumura, Chem. Phys. Lett., 610, 76-81 (2014).
  196. Theoretical Investigation on the Optical Properties of Diphosphine-protected Au-8 Cluster Complexes, S. Hayashi, K. Tada, K. Sakata, H. Koga, S. Yamanaka, T. Kawakami, Y. Kitagawa, M. Okumura, Chem. Lett., 43, 880-882 (2014).
  197. Role of Acidic Proton in the Decomposition of NO over Dimeric Cu(I) Active Sites in Cu-ZSM-5 Catalyst: A QM/MM Study, Sajith P. K., Y. Shiota, K. Yoshizawa, ACS Catal., 4, 2075-2085 (2014).
  198. Computational Mutation Design of Diol Dehydratase: Catalytic Ability toward Glycerol beyond the Wild-Type Enzyme, K. Doitomi, H. Tanaka, T. Kamachi, T. Toraya, K. Yoshizawa, Bull. Chem. Soc. Jpn., 87, 950-959 (2014).
  199. Catalytic Formation of Ammonia from Molecular Dinitrogen by use of Dinitrogen-Bridged Molybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand, S. Kuriyama, K. Arashiba, K. Nakajima, H. Tanaka, N. Kamaru, K. Yoshizawa, Y. Nishibayashi, J. Am. Chem. Soc., 136, 9719-9731 (2014).
  200. Cleavage and Formation of Molecular Dinitrogen in a Single System Assisted by Molybudenum Complexes Bearing Ferrocenyldiphosphine, T. Miyazaki, H. Tanaka, Y. Tanabe, M. Yuki, K. Nakajima, K. Yoshizawa, Y. Nishibayashi, Angew. Chem. Int. Ed., 53, 11488-11492 (2014).
  201. Binding of Scandium Ions to Metalloporphyrin-Flavin Complexes for Long-Lived Charge Separation, T. Kojima, R. Kobayashi, T. Ishizuka, S. Yamakawa, H. Kotani, T. Nakanishi, K. Ohkubo, Y. Shiota, K. Yoshizawa, S. Fukuzumi, Chem. Eur. J., 20, 15518-15532 (2014).
  202. Molecular Motor-driven Abrupt Anisotropic Shape Change in a Single Crystal of a Ni Complex, Z.-S. Yao, M. Mito, T. Kamachi, Y. Shiota, K. Yoshizawa, N. Azuma, Y. Miyazaki, K. Takahashi, K. Zhang, T. Nakanishi, S. Kang, S. Kanegawa, O. Sato, Nature Chem., 6, 1079-1083 (2014).
  203. A QSAR Study on the Inhibition Mechanism of Matrix Metalloproteinase-12 by Arylsulfone Analogues Based on Molecular Orbital Calculations, S. Hitaoka, H. Chuman, K. Yoshizawa, Org. Biomol. Chem., 13, 793-806 (2015).
  204. Photoswitching of Conductance through Salicylidene Methylamine, A. Staykov, M. Watanabe, T. Ishihara, K. Yoshizawa, J. Phys. Chem. C, 118, 27539-27548 (2014).
  205. A Tetranuclear Ru(II) Complex with a Dinucleating Ligand Forming Multi-Mixed-Valence States, S. Ohzu, T. Ishizuka, H. Kotani, Y. Shiota, K. Yoshizawa, T. Kojima, Inorg. Chem., 53, 12677-12679 (2014).
  206. Selective Carbon Dioxide Adsorption of ε-Keggin-type Zincomolybdate-based Purely-Inorganic 3D Frameworks, Z. Zhang, M. Sadakane, S. Noro, T. Maruyama, T. Kamachi, K. Yoshizawa, W. Ueda, J. Mater. Chem. A, 3, 746-755 (2015).
  207. A Ferromagnetically Coupled Fe42 Cyanide-Bridged Nanocage, S. Kang, H. Zheng, T. Liu, K. Hamachi, S. Kanegawa, K. Sugimoto, Y. Shiota, Hayami, M. Mito, T. Nakamura, M. L. Baker, H. Nojiri, K. Yoshizawa, C. Duan, O. Satom, Nature Commun., 6, 5955 (6 pages) (2015).
  208. Formation and Characterization of a Reactive Chromium(V)-Oxo Complex: A Mechanistic Insight into Hydrogen-Atom Transfer Reactions, H. Kotani, S. Kaida, T. Ishizuka, M. Sakaguchi, T. Ogura, Y. Shiota, K. Yoshizawa, T. Kojima, Chem. Sci., 6, 945-955 (2015).
  209. Controlling the Redox Properties of a Pyrroloquinolinequinone (PQQ) Derivative in a Ruthenium(II) Coordination Spher, H. Mitome, T. Ishizuka, Y. Shiota, K. Yoshizawa, T. Kojima, Dalton Trans., 44, 3151-3158 (2015).
  210. Mechanistic Study of Methanol Oxidation by RuIV-Oxo Complexes, Y. Shiota, S. Takahashi, S. Ohzu, T. Ishizuka, T. Kojima, K. Yoshizawa, J. Porphyrins Phthalocyanines, 19, 417-426 (2015).
  211. Generic mechanical transport coefficients of a confined electrolyte solution, H. Yoshida, H. Mizuno, T. Kinjo, H. Washizu, J. L. Barrat, Phys. Rev. E, 90, 052113 (5 pages) (2014).
  212. Boundary condition at a two-phase interface in the lattice Boltzmann method for the convection-diffusion equation, H. Yoshida T. Kobayashi, H. Hayashi, T. Kinjo, H. Washizu, K. Fukuzawa, Phys. Rev. E, 90, 013303 (10 pages) (2014).
  213. Molecular Dynamic Simulation of the Electrokinetic Flows of an Aqueous Electrolyte Solution in Nanochannels, H. Yoshida, T. Kinjo, H. Washizu, H. Mizuno, J. L. Barrat, J. Chem. Phys., 140, 214701 (12 pages) (2014).
  214. First-principles study of fast Na diffusion in Na3P, Xue-fang Yu, Giacomo Giorgi, Hiroshi Ushiyama, Koichi Yamashita, Chemical Physics Letters, 612, 129-133 (2014).
  215. Comparative study of Na/Li intercalation and diffusion mechanism in black phosphorus from first-principles simulation, Xue-fang Yu, Hiroshi Ushiyama, Koichi Yamashita, Chem. Lett., 43, 1940-1942 (2014).
  216. First-Principles Study on Structural and Electronic Properties of α-S and Na-S Crystals, Hiroyoshi Momida, Tomoki Yamashita, Tamio Oguchi, J. Phys. Soc. Jpn., 83, 124713 (8 pages) (2014).

2013年度

  1. Characterization of Thermally Stable Brønsted Acid Sites on Alumina-Supported Niobium Oxide Calcination at High Temperature, Tomoyuki Kitano, Tetsuya Shishido, Kentaro Teramura, Tsunehiro Tanaka, ChemPhysChem, 14, 2560-2569 (2013).
  2. Vibronically Induced Activation Mechanism in Photocatalysis of Highly Dispersed Vanadium Oxide Supported on Silica, V2O5/SiO2: Evidence in Phosphorescence Spectra, Tohru Sato, Naoya Iwahara, Kazuyoshi Tanaka, Tsunehiro Tanaka, Chem. Phys. Lett., 584, 63-66 (2013).
  3. Effect of a Crystalline Phase of TiO2 Photocatalysts on the Photodeposition of Rh Metal Nanoparticles, Akira Yamamoto, Junya Ohyama, Kentaro Teramura, Tetsuya Shishido, Tsunehiro Tanaka, Catal. Today, 232, 165-170 (2014).
  4. Acid Property of Nb2O5/Al2O3 Prepared by Impregnation Method By Using Niobium Oxalate Solution: Effect of pH on the Structure and Acid Property, Catalysis Today, Tomoyuki Kitano, Tetsuya Shishido, Kentaro Teramura, Tsunehiro Tanaka, Catal. Today, 226, 97-102 (2014).
  5. Effect of Reduction Method on the Activity of Pt-Sn/SiO2 for Dehydrogenation of Propane, Lidan Deng, Tetsuya Shishido, Kentaro Teramura, Tsunehiro Tanaka, Catal. Today, 232, 33-39 (2014).
  6. Characterization of Cu Nanoparticles on TiO2 Photocatalysts Fabricated by Electroless Plating Method, Zheng Wang, Kentaro Teramura, Tetsuya Shishido, Tsunehiro Tanaka, Top. Catal., 57, 975-983 (2014).
  7. Ultrathin Rhodium Nanosheets, Haohong Duan, Ning Yan, Rong Yu, Chun-Ran Chang, Gang Zhou, Jie Zhang, Han-Shi Hu, Hongpan Rong, Junjie Mao, Zhiqiang Niu, Yuen Wu, Shuo Zhang, Liwei Chen, Hiroyuki Asakura, Tsunehiro Tanaka, Paul Joseph Dyson, Jun Li, Yadong Li, Nature Commun., 5, 3093-3100 (2014).
  8. Effect of High-Temperature Calcination on the Generation of Brønsted Acid Sites on WO3/Al2O3, Tomoyuki Kitano, Tomohiro Hayashi, Toshio Uesaka, Tetsuya Shishido, Kentaro Teramura, Tsunehiro Tanaka, ChemCatChem, 6, 2011-2020 (2014).
  9. A Series of NiM (M = Ru, Rh, and Pd) Bimetallic Catalysts for Effective Lignin Hydrogenolysis in Water, Jiaguang Zhang, Jason Teo, Xi Chen, Hiroyuki Asakura, Tsunehiro Tanaka, Kentaro Teramura, Ning Yan, ACS Catal., 4, 1574-1583 (2014).
  10. Photoactivation of Molecular Oxygen by an Iron(III) Porphyrin with Mg-Al Layered Double Hydroxide for Aerobic Epoxidation of Cyclohexene, Kentaro Teramura, Hideo Tsuneoka, Kentaro Ogura, Takashi Sugimoto, Tetsuya Shishido, Tsunehiro Tanaka, ChemCatChem, 6, 2276-2014 (2014).
  11. Local Structure and La L1, and L3-edge XANES Spectra of Lanthanum Complex Oxides, Hiroyuki Asakura, Tetsuya Shishido, Kentaro Teramura, Tsunehiro Tanaka, Inorg. Chem., 53, 6048-6053 (2014).
  12. A Doping Technique Suppressing Undesirable H2 Evolution Derived from Overall Water Splitting in Highly Selective Photocatalytic Conversion of CO2 in and by Water, Kentaro Teramura, Zheng Wang, Saburo Hosokawa, Yoshihisa Sakata, Tsunehiro Tanaka, Chemistry –A European Journal, 20, 9906-9909 (2014).
  13. Catalytic Properties of Mn-Modified YbFeO3: Noble-metal-free Combustion Catalysts, S. Hosokawa, Y. Masuda, T. Nishimura, K. Wada, R. Abe, M. Inoue, Chem. Lett., 6, 874-876 (2014).
  14. Nanometric Colloidal Sols of CeO2-ZrO2 Solid Solution As Catalyst Modifiers. I. Preparation and Structure, K.Tanimoto, H. Kato, M. Hidaka, S. Hinokuma, K. Ikeue, M. Machida, Bulletin of the Chemical Society of Japan, 86, 1210-1215 (2013).
  15. Selective Hydrogenation of Nitroaromatics by Colloidal Iridium Nanoparticles, M. J. Sharif, P. Maity, S. Yamazoe, T. Tsukuda, Chem. Lett., 42, 1023-1025 (2013).
  16. Binding Motif of Terminal Alkynes on Gold Clusters, P. Maity, S. Takano, S. Yamazoe, T. Wakabayashi, T. Tsukuda, J. Am. Chem. Soc.,135, 9450-9457 (2013).
  17. A Twisted Bi-icosahedral Au25 Cluster Enclosed by Bulky Arenethiolates, J. Nishigaki, S. Yamazoe, S. Kohara, A. Fujiwara, W. Kurashige, Y. Negishi, T. Tsukuda, Chem. Commun., 50, 839-841 (2014).
  18. Formation of a Pd@Au12 Superatomic Core in Au24Pd1(SC12H25) 18 Probed by 197Au Mössbauer and Pd K-edge EXAFS Spectroscopy, Y. Neghishi, W. Kurashige, Y. Kobayashi, S. Yamazoe, N. Kojima, M. Seto, T. Tsukuda, J. Phys. Chem. Lett., 4, 3579-3584 (2013).
  19. Selenolate-protected Au38 Nanoclusters: Isolation and Structural Characterization, W. Kurashige, S. Yamazoe, K. Kanehira, T. Tsukuda, Y. Negishi, J. Phys. Chem. Lett., 4, 3181-3185 (2013).
  20. Hydrogen-induced Structural Transformation of AuCu Nanoalloys Probed by Synchrotron X-ray Diffraction Techniques, M. Yamauchi, K. Okubo, T. Tsukuda, K. Kato, M. Takata, S. Takeda, Nanoscale, 6, 4067-4071 (2014).
  21. C-3 alkylation of oxindoles with alcohols by Pt/CeO2 catalyst in additive-free conditions, Chandan Chaudhari, S. M. A. Hakim Siddiki, Kenichi Kon, Atsuko Tomita, Yutaka Tai, Ken-ichi Shimizu, Catal. Sci. Technol., 4, 1064-1069 (2014).
  22. Oxidation of Silanes to Silanols on Pd Nanoparticles: H2 Desorption Accelerated by Surface Oxygen Atom, Takashi Kamachi, Ken-ichi Shimizu, Daisuke Yoshihiro, Kazunobu Igawa, Katsuhiko Tomooka, Kazunari Yoshizawa, J. Phys. Chem. C, 117, 22967-22973 (2013).
  23. Alkylation of 2-methylquinoline with alcohols under additive-free conditions by Al2O3-supported Pt catalys, Chandan Chaudhari, S. M. A. Hakim Siddiki, Ken-ichi Shimizu, Tetrahedron Letters, 54, 6490-6493 (2013).
  24. General and selective C-3 alkylation of indoles with primary alcohols by reusable Pt nanocluster catalyst, S. M. A. Hakim Siddiki, Kenichi Kon, Ken-ichi Shimizu, Chem. Eur. J., 19, 14416-14419 (2013).
  25. Self-coupling of secondary alcohols by Ni/CeO2 catalyst, Katsuya Shimura, Kenichi Kon, S.M.A. Hakim Siddiki, Ken-ichi Shimizu, Appl. Catal. A, 462-463, 137-142 (2013).
  26. CeO2 as a versatile and reusable catalyst for transesterification of esters with alcohols under solvent-free conditions, Masazumi Tamura, S. M. A. Hakim Siddiki, Ken-ichi Shimizu, Green Chem., 15, 1641-1646 (2013).
  27. CeO2-catalyzed nitrile hydration to amide: reaction mechanism and active sites, Masazumi Tamura, Atsushi Satsuma, Ken-ichi Shimizu, Catal. Sci. Technol., 3, 1386-1393 (2013).
  28. Effect of the Nature of the CeO2 Support of the Rh Catalyst on Triggering the Oxidative Reforming of n-Butane for H2 Production from Ambient Temperature, Katsutoshi Sato, Kouhei Adachi, Yusaku Takita, Katsutoshi Nagaoka, ChemCatChem, 6, 784-789 (2014).
  29. Positive Effect of the Residual Templates within the MCM-41 Mesoporous Silica Channels in the Metal-Catalyzed Catalytic Reactions, K. Mori, T. Yamaguchi, S. Ikurumi, H. Yamashita, Chemical Communications, 49, 10468-10470 (2013).
  30. Iridium and Rhodium Complexes within a Macroreticular Acidic Resin: A Heterogeneous Photocatalyst for Visible-light Driven H2 Production without an Electron Mediator, K. Mori, Y. Kubota, H. Yamashita, Chemistry –An Asian Journal, 8, 3207-3213 (2013).
  31. Control of Physicochemical Properties and Catalytic activity of Tris(2,2’-bipyridine)iron(II) encapsulated within Zeolite Y cavity by Alkaline Earth Metal Cations, M. Martis, K. Mori, H. Yamashita, Dalton Transactions, 43, 1132-1138 (2014).
  32. Enhanced Activity and Selectivity in the One-pot Hydroxylation of Phenol by Pd/SiO2@Fe-containing Mesoporous Silica Core-shell Catalyst, S. Ikurumi, S. Okada, K. Nakatsuka, T. Kamegawa, K. Mori, H. Yamashita, Journal of Physical Chemistry C, 118, 575-581 (2014).
  33. The Synthesis of Size- and Color-Controlled Silver Nanoparticles by Using Microwave Heating and their Enhanced Catalytic Activity by Localized Surface Plasmon Resonance, K. Fuku, R. Hayashi, S. Takakura, T. Kamegawa, K. Mori, H. Yamashita, Angewandte Chemie International Edition, 52, 7466-7450 (2013).
  34. Calcium Phosphate Coatings Incorporated in Mesoporous TiO2/SBA-15 by a Facile Inner-Pore Sol-Gel Process Toward Enhanced Adsorption-Photocatalysis Performances, X. Qian, T. Kamegawa, K. Mori, H. Li, Hexing, H. Yamashita, Journal of Physical Chemistry C, 117, 19544-19551 (2013).
  35. Amine-Functionalized MIL-125 with Imbedded Palladium Nanoparticles as an Efficient Catalyst for Dehydrogenation of Formic Acid at an Ambient Temperature, M. Martis, K. Mori, K. Fujiwara, W.-S. Ahn, H. Yamashita, Journal of Physical Chemistry C, 117, 22805-22810 (2013).
  36. A Visible-Light-Harvesting Assembly with a Sulfocalixarene Linker between Dyes and a Pt-TiO2 Photocatalyst, T. Kamegawa, S. Matsuura, H. Seto, H. Yamashita, Angewandte Chemie International Edition, 52, 916-919 (2013).
  37. Design of TiO2-zeolite Composites with Enhanced Photocatalytic Performances under Irradiation of UV and Visible Light, T. Kamegawa, R. Kido, D. Yamahana, H. Yamashita, Microporous and Mesoporous Materials, 165, 142-147 (2013).
  38. Preparation of Single-site Ti-containing Mesoporous Silica with a Nanotube Architecture and its Enhanced Catalytic Activities, T. Kamegawa, D. Yamahana, H. Seto, H. Yamashita, Journal of Materials Chemistry A, 1, 891-897 (2013).
  39. Preparation of Aluminum-containing Mesoporous Silica with Hierarchical Macroporous Architecture and its Enhanced Catalytic Activities, T. Kamegawa, S. Tanaka, H. Seto, D. Zhou, H. Yamashita, Physical Chemistry Chemical Physics, 15, 13323-13328 (2013).
  40. Active Skeletal Ni Catalysts Prepared from an Amorphous Ni-Zr Alloy in the Pre-Crystallization State, A. Nozaki, T. Kamegawa, T. Ohmichi, H. Yamashita, ChemPhysChem, 14, 2534-2538 (2013).
  41. Preparation of Skeletal Cu Catalysts by Thermal and Chemical Treatment of Cu-Ti Amorphous Alloys and their Enhanced Catalytic Activities, A. Nozaki, T. Kamegawa, T. Ohmichi, H. Yamashita, Bulletin of the Chemical Society of Japan, 86, 1002-1004 (2013).
  42. Highly Dispersed TaOx Nanoparticles Prepared by Electrodeposition as Oxygen Reduction Electrocatalysts for Polymer Electrolyte Fuel Cells, Jeongsuk Seo, Lan Zhao, Dongkyu Cha, Kazuhiro Takanabe, Marao Katayama, Jun Kubota, Kazunari Domen, J. Phys. Chem. C, 117, 11635-11646 (2013).
  43. Electrodeposited Ultrafine NbOx, ZrOx, and TaOx Nanoparticles on Carbon Black Supports for Oxygen Reduction Electrocatalysts in Acidic Media, Jeongsuk Seo, Dongkyu Cha, Kazuhiro Takanabe, Jun Kubota, Kazunari Domen, ACS Catalysis, 3, 2181-2189 (2013).
  44. Particle size dependence on oxygen reduction reaction activity of electrodeposited TaOx catalysts in acidic media, Jeongsuk Seo, Dongkyu Cha, Kazuhiro Takanabe, Jun Kubota, Kazunari Domen, Phys. Chem. Chem. Phys. 16, 895-898 (2013).
  45. Nb-doped TiO2 cathode catalysts for oxygen reduction reaction of polymer electrolyte fuel cells, Takuya Arashi, Jeongsuk Seo, Kazuhiro Takanabe, Jun Kubota, Kazunari Domen, Catal. Today, 233, 181-186 (2014).
  46. Size Specifically High Activity of Ru Nanoparticles for Hydrogen Oxidation Reaction in Alkaline Electrolyte, Junya Ohyama, Takuma Sato, Yuta Yamamoto, Shigeo Arai, Atsushi Satsuma, J. Am. Chem. Soc., 135, 8016-8021 (2013).
  47. Oxygen Reduction Reaction over Silver Particles with Various Morphologies and Surface Chemical States Corresponding, Junya Ohyama, Yui Okata, Noriyuki Watabe, Makoto Katagiri, Ayaka Nakamura, Hidekazu Arikawa, Ken-ichi Shimizu, Tatsuya Takeguchi, Wataru Ueda, Atsushi Satsuma, J. Power Sources, 245, 998-1004 (2014).
  48. Statistical Distribution of Single Atoms and Clusters of Supported Au Catalyst Analyzed by Global High-Resolution HAADF-STEM Observation with Morphological Image-Processing Operation, Yuta Yamamoto, Shigeo Arai, Akihiko Esaki, Junya Ohyama, Atsushi Satsuma, Nobuo Tanaka, Microscopy, 63, 209-218 (2014).
  49. Enhanced CO Oxidation Activity of Ni@Ag Core-Shell Nanoparticles, Y. Mahara, H. Ishikawa, J. Ohyama, K. Sawabe, Y. Yamamoto, S. Arai, A. Satsuma, Chem. Lett., 43, 910-912 (2014).
  50. Carbonate-Promoted Catalytic Activity of Potassium Cations for Soot Combustion by Gaseous Oxygen, Masaru Ogura, Riichiro Kimura, Hiroshi Ushiyama, Fumiya Nikaido, Koichi Yamashita, Tatsuya Okubo, ChemCatChem, 6, 479-484 (2014).
  51. Reaction Mechanism of Selective Photooxidation of Amines over Niobium Oxide: Visible-Light-Induced Electron Transfer between Adsorbed Amine and Nb2O5, S. Furukawa, Y. Ohno, T. Shishido, K. Teramura, T. Tanaka, J. Phys. Chem. C, 117, 442-450 (2013).
  52. Brønsted acid generation of alumina-supported molybdenum oxide calcined at high temperatures: Characterization by acid-catalyzed reactions and spectroscopic methods, T. Kitano, S. Okazaki, T. Shishido, K. Teramura, T. Tanaka, J. Mol. Catal. A-Chem, 371, 21-28 (2013).
  53. Study of formation process of metal nanoparticles on metal oxides by in-situ XAFS technique, T. Shishido, H. Nasu, L. Deng, K. Teramura, T. Tanaka, Journal of Physics Conference Series, 430, 012060 (2013).
  54. Reaction mechanism in the mechanochemical synthesis of dibenzophenazine: Application of vibronic coupling density analysis, Naoki Haruta, Tohru Sato, Kazuyoshi Tanaka, Michel Baron, Tetrahedron Lett., 54, 5920-5923 (2013).
  55. Inverse Relationship of Reorganization Energy to the Number of pi Electrons from Perspective of Vibronic Coupling Density, Katsuyuki Shizu, Tohru Sato, Kazuyoshi Tanaka, J. Comp. Chem. Jpn., 12, 215-221 (2013).
  56. Vibronic Couplings in C60 Derivatives for Organic Photovoltaics, Naoya Iwahara, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji, Chem. Phys. Lett., 590, 169-174 (2013).
  57. Delayed Fluorescence Behaviors of Aminopyridine Oligomers: Azacalix[n](2,6)pyridines (n = 3, 4) and their Linear Analog, Natsuko Uchida, Tohru Sato, Junpei Kuwabara, Yoshinobu Nishimura, Takaki Kanbara, Chem. Lett., 43, 459-461 (2014).
  58. Enhancement of Fluorescence in Anthracene by Chlorination: Vibronic Coupling and Transition Dipole Moment Density Analysis, Motoyuki Uejima, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji, Chem. Phys., 430, 47-55 (2014).
  59. Visible Light-mediated Direct Arylation of Arenes and Heteroarenes Using Diaryliodonium Salts in the Presence and Absence of a Photocatalyst, Mamoru Tobisu, Takayuki Furukawa, Naoto Chatani, Chem. Lett., 42, 1203-1205 (2013).
  60. Novel Active CRLH Transmission Lines Incorporating FETs, H. Mizutani, K. Ota, R. Ishikawa, K. Honjo, 7th International Congress on Advanced Electromagnetic Materials in Microwaves and Optics – Metamaterials, PS-I-41 (2013).
  61. [5]Radialene-Fused Tetrathiafulvalenes Exihibiting a Simultaneous Four- or Eight-Electron Transfer, Masafumi Ueda, Yohji Misaki, Org. Lett., 15, 3824-3827 (2013).
  62. A New Bis-fused p-Electron Donor Composed of Tetrathiafulvalene and 2-(Xanthen-9-ylidene)-1,3-dithiole, Minami Kato, Takashi Shirahata, Yohji Misaki, Chem. Lett., 42, 1548-1550 (2013).
  63. A Tris-fused Tetrathiafulvalene Extended with Cyclohexene-1,4-diylidene: A New Positive Electrode Material for Organic Rechargeable Batteries, Minami Kato, Daisuke Ogi, Masaru Yao, Yohji Misaki, Chem. Lett., 42, 1556-1558 (2013).
  64. Pentakis-fused Tetrathiafulvalene System Extended by Cyclohexene-1,4-diylidenes: A New Positive Electrode Material for Rechargeable Batteries Utilizing Ten-electrons Redox, Minami Kato, Ken-ichiro Senoo, Masaru Yao, Yohji Misaki, J. Mater. Chem. A, 2, 6747-6754 (2014).
  65. Phase Diagram of Olivine NaxFePO4 (0<x<1), Jiechen Lu, Sai Cheong Chung, Shin-ichi Nishimura, Atsuo Yamada, Chem. Mater., 25, 4557-4565 (2013).
  66. Sodium manganese fluorosulfate with a triplite structure, Prabeer Barpanda, Chris D. Ling, Gosuke Oyama, Atsuo Yamada, Acta Cryst., B69, 584-588 (2013).
  67. Theoretical Analysis of De-Solvation of Lithium, Sodium, and Magnesium Cations to Oganic Electrolyte Solvents, Masaki Okoshi, Yuki Yamada, Atsuo Yamada, Hiromi Nakai, J. Electrochem. Soc., 160, A2160-A2165 (2013).
  68. Layered Na2RuO3 as a cathode material for Na-ion batteries Mao Tamaru, Xianfen Wang, Masashi Okubo, Atsuo Yamada, Electrochem. Commun., 33, 23-26 (2013).
  69. Electrode Properties of P2-Na2/3MnyyCo1-yO2 as Cathode Materials for Sodium-Ion Batteries, Xianfen Wang, Mao Tamaru, Masashi Okubo, Atsuo Yamada, J. Phys. Chem. C, 117, 15545-15551 (2013).
  70. Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries, Prabeer Barpanda, Guandong Liu, Chris D. Ling, Mao Tamaru, Maxim Avdeev, Sai-Cheong Chung, Yuki Yamada, Atsuo Yamada, Chem. Mater., 25, 3480-3487 (2013).
  71. Magnetic Structure of NaFePO4 Maricite and Triphylitte Polymorphs for Sodium-Ion Batteries, Maxim Avdeev, Zakiah Mohamed, Chris D. Ling, Jiechen Lu, Mao Tamaru, Atsuo Yamada, Prabeer Barpanda, Inorg. Chem., 52, 8685-8693 (2013).
  72. Revisiting the lithium iron borate (LiFeBO3) cathode system: Synthetic and electrochemical findings, Prabeer Barpanda, Yasunobu Yamashita, Sai-Cheong Chung, Yuki Yamada, Shin-ichi Nishimura, Atsuo Yamada, ECS Transactions, 50(24), 21-26 (2013).
  73. Splash combustion synthesis and exploration of alkali metal pyrophosphate (A2MP2O7; A = Li, Na) cathodes, Prabeer Barpanda, Tian Ye, Jiechen Lu, Yuki Yamada, Sai-Cheong Chung, Shin-ichi Nishimura, Masashi Okubo, Haoshen Zhou, Atsuo Yamada, ECS Transactions, 50(24), 71-77 (2013).
  74. Demonstration of Co3+/Co2+ Electrochemical Activity in LiCoBO3 Cathode at 4.0 V, Yasunobu Yamashita, Prabeer Barpanda, Yuki Yamada, Atsuo Yamada, ECS Electrochem. Lett., 2, A75-A77 (2013).
  75. Unusual stability of acetonitrile-based superconcentrated electrolytes for fast-charging lithium-ion batteries, Yuki Yamada, Keizo Furukawa, Keitaro Sodeyama, Keisuke Kikuchi, Makoto Yaegashi, Yoshitaka Tateyama, Atsuo Yamada, J. Am. Chem. Soc., 136, 5039-5046 (2014).
  76. Kröhnkite-type Na2Fe(SO4)2·H2O as a novel 3.25 V insertion compound for Na-ion batteries, Prabeer Barpanda, Gosuke Oyama, Chris D. Ling, Atsuo Yamada, Chem. Mater., 26, 1297-1299 (2014).
  77. Role of ligand-to-metal charge transfer in O3-type NaFeO2-NaNiO2 solid solution for enhanced electrochemical properties, Xianfen Wang, Guandong Liu, Tatsumi Iwao, Masashi Okubo, Atsuo Yamada, J. Phys. Chem. C, 118, 2970-2976 (2014).
  78. A superconcentrated ether electrolyte for fast-charging Li-ion batteries, Yuki Yamada, Makoto Yaegashi, Takeshi Abe, Atsuo Yamada, Chem. Commun., 49, 11194-11196 (2013).
  79. Magnetic structure and properties of the rechargeable battery insertion compound Na2FePO4F, Maxim Avdeev, Chris D. Ling, Thiam Tech Tan, Sean Li, Gosuke Oyama, Atsuo Yamada, Inorg. Chem., 53, 682-684 (2014).
  80. NaFe0.5Co0.5O2 as high energy and power positive electrode for Na-ion batteries, Hiroaki Yoshida, Naoaki Yabuuchi, Shinichi Komaba, Electrochem. Commun., 34, 60-63 (2013).
  81. A Comparative Study of LiCoO2 Polymorphs: Structural and Electrochemical Characterization of O2-, O3-, and O4-type Phases, Naoaki Yabuuchi, Yuta Kawamoto, Ryo Hara, Toru Ishigaki, Akinori Hoshikawa, Masao Yonemura, Takashi Kamiyama, Shinichi Komaba, Inorg. Chem., 52, 9131-9142 (2013).
  82. Phase Diagrams and Solvate Structures of Glyme and Na Salts Binary Mixtures, Toshihiko Mandai, Risa Nozawa, Seiji Tsuzuki, Kazuki Yoshida, Kazuhide Ueno, Kaoru Dokko, Masayoshi Watanabe, The Journal of Physical Chemistry B, 117, 15072-15085 (2013).
  83. Morphology and surface structure of cubic BaTiO3 using first-principles Density Functional Theory, M. Nakayama, S. Hotta, T. Nakamura, T. Kasuga, J. Ceram. Soc. Jpn., 121, 611-613 (2013).
  84. An Efficient Rule-Based Screening Approach for Discovering Fast Lithium Ion Conductors Using Density Functional Theory and Artificial Neural Networks, R. Jalem, M. Nakayama, T. Kasuga, J. Mater. Chem. A, 2, 720-734 (2014).
  85. Fabrication and Electrochemical Performance of Lithium Polymer Battery Using Mesoporous Silica/Polymer Hybrid Electrolyte, M. Nakayama, T. Okajima, Y. Yamamoto, S. Baba, K. Iizuka, M. Nogami, D. Mochizuki, T. Kiguchi, S. Kuroki, J. Ceram. Soc. Jpn., 121, 723-729 (2013).
  86. A safe and high-rate negative electrode for sodium-ion batteries: Hard carbon in NaFSA-C1C3pyrFSA ionic liquid at 363 K, Atsushi Fukunaga, Toshiyuki Nohira, Rika Hagiwara, Koma Numata, Eiko Itani, Shoichiro Sakai, Koji Nitta, Shinji Inazawa, Journal of Power Sources, 246, 387-391 (2014).
  87. Pyrophosphate Na2FeP2O7 as a low-cost and high-performance positive electrode material for sodium secondary batteries utilizing an inorganic ionic liquid, Chih-Yao Chen, Kazuhiko Matsumoto, Toshiyuki Nohira, Rika Hagiwara, Yuki Orikasa, Yoshiharu Uchimoto, Journal of Power Sources, 246, 783-787 (2014).
  88. Cooperative H2 Activation at Ag Cluster/q-Al2O3 Dual Perimeter Sites: A DFT Study, H. Pussana, K. Shimizu, R. Fukuda, S. Namuangruk, T. Morikawa, M. Ehara, J. Phys. Chem. C., 118, 7996-8006 (2014).
  89. Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculations, M. Ehara, R. Fukuda, C. Adamo, I. Ciofini, J. Comp. Chem., 34, 2498-2501 (2013).
  90. Theoretical Study of the Electronic Excitations of Free-base Porphyrin-Ar2 van der Waals Complexes, R. Fukuda, M. Ehara, J. Chem. Phys., 139, 074303-1-10 (2013).
  91. Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories, R. Fukuda, M. Ehara, Phys. Chem. Chem. Phys., 15, 17426-17434 (2013).
  92. Electronic Excitation Spectra of Molecules in Solution Calculated Using the SAC-CI Method in the Polarizable Continuum Model with Perturbative Approach, R. Fukuda, M. Ehara, R. Cammi, J .Chem. Phys., 140, 064114-1-15 (2014).
  93. Electronic transitions in liquid amides studied by using attenuated total reflection far-ultraviolet spectroscopy and quantum chemical calculations, Y. Morisawa, M. Yasunaga, R. Fukuda, M. Ehara, Y. Ozaki, J. Chem. Phys. 139, 154301-1-9 (2013).
  94. Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules, J. Seino, H. Nakai, J. Chem. Phys., 139, 034109 (15 pages) (2013).
  95. Superphenalenyl: Theoretical design of a p-conjugated planar hydrocarbon radical, Y. Ikabata, K.-y. Akiba, H. Nakai, Chem. Lett., 42, 1386-1387 (2013).
  96. Theoretical study on the selective fluorescence of PicoGreen: Binding models and photophysical properties, M. Okoshi, P. Saparpakorn, Y. Takada, S. Hannongbua, H. Nakai, Bull. Chem. Soc. Jpn., 87, 267-273 (2014).
  97. Novel approach to excited-state calculations of large molecules based on divide-and-conquer method: Application to photoactive yellow protein, T. Yoshikawa, M. Kobayashi, A. Fujii, H. Nakai, J. Phys. Chem. B, 117 , 5565-5573 (2013).
  98. Theoretical study on stability of lithium ion battery in charging process: Analysis based on partial charge and partial energy, Y. Yamauchi, H. Nakai, J. Electrochem. Soc., 160, A1364-A1368 (2013).
  99. Kinetic energy decomposition scheme based on information theory, Y. Imamura, J. Suzuki, H. Nakai, J. Comput. Chem., 34, 2787-2795 (2013).
  100. Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation, Y. Nakajima, J. Seino, H. Nakai, J. Chem. Phys., 139, 244107 (13 pages) (2013).
  101.  Frozen core potential scheme with a relativistic electronic Hamiltonian: theoretical connection between the model potential and all-electron treatments”, J. Seino, M. Tarumi, H. Nakai, Chem. Phys. Lett., 592, 341-348 (2014).
  102. Doping and Alloying in Atomically Precise Gold Nanoparticles, R. Jin, K. Nobusada, Nano Res., 7, 285-300 (2014).
  103. Nonsuperatomic [Au23(SC6H11)16] Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif, A. Das, T. Li, K. Nobusada, C. Zeng, N. L. Rosi, R. Jin, J. Am. Chem. Soc., 135, 18264-18267 (2013).
  104. Functionalization of Monolayer h-BN by a Metal Support for the Oxygen Reduction Reaction, A. Lyalin, A. Nakayama, K. Uosaki, T. Taketsugu, J. Phys. Chem. C, 117, 21359-21370 (2013).
  105. Application of automated reaction path search methods to a systematic search of single-bond activation pathways catalyzed by small metal clusters: A case study on H-H activation by gold, M. Gao, A. Lyalin, S. Maeda, T. Taketsugu, J. Chem. Theor. Comp., 10, 1623-1630 (2014).
  106. The h-BN surface effect on CO oxidation reaction catalyzed by supported gold atom, M. Gao, A. Lyalin, T. Taketsugu, J. Phys.: Conf. Ser., 438, 012003 (2013).
  107. Theoretical Prediction for Hexagonal BN Based Nanomaterials as Electrocatalyst for Oxygen Reduction Reaction, A. Lyalin, A. Nakayama, K. Uosaki, T. Taketsugu, Phys. Chem. Chem. Phys., 15, 2809-2820 (2013).
  108. CO oxidation on h-BN supported Au atom, M. Gao, A. Lyalin, T. Taketsugu, J. Chem. Phys., 138, 034701 (2013).
  109. The h-BN surface effect on CO oxidation reaction catalyzed by supported gold atom, M. Gao, A. Lyalin, T. Taketsugu, J. Phys.: Conf. Ser., 438, 012003 (2013).
  110. DFT calculations for aerobic oxidation of alcohols over neutral Au-6 cluster, K. Sakata, K. Tada, S. Yamada, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, Mol. Phys., 112, 385-392 (2014).
  111. DFT calculations for Au adsorption onto a reduced TiO2(110) surface with the coexistence of Cl, K. Tada, K. Sakata, S. Yamada, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, Mol. Phys., 112, 365-378 (2014).
  112. DFT calculations for chlorine elimination from chlorine-adsorbed gold clusters by hydrogen, K. Tada, K. Sakata, S. Yamada, Y. Kitagawa, T. Kawakami, S. Yamanaka, M. Okumura, Chem. Phys. Lett., 579, 94-99 (2013).
  113. Oxidation of Silanes to Silanols on Pd Nanoparticles: H2 Desorption Accelerated by Surface Oxygen Atom, Takashi Kamachi, Ken-ichi Shimizu, Daisuke Yoshihiro, Kazunobu Igawa, Katsuhiko Tomooka, Kazunari Yoshizawa, J. Phys. Chem. C, 117, 22967-22973 (2013).
  114. Role of Tyrosine Residue in Methane Activation at the Dicopper Site of pMMO: A DFT Study, Yoshihito Shiota, Gergely Juhász, Kazunari Yoshizawa, Inorg. Chem., 52, 7907-7917 (2013).
  115. Bipod Dicyano Anchor Unit for Single Molecular Spintronic Devices, Yuta Tsuji, Takayuki Semoto, Kazunari Yoshizawa, ChemPhysChem, 14, 2470-2475 (2013).
  116. Asymmetric Diarylethene as a Dual-Functional Device Combining Switch and Diode, Yuta Tsuji, Junya Koga, Kazunari Yoshizawa, Bull. Chem. Soc. Jpn., 86, 947-954 (2013).
  117. Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Non-innocent PNP-Pincer Type Phosphaalkene Ligand, Yung-Hung Chang, Yumiko Nakajima, Hiromasa Tanaka, Kazunari Yoshizawa, Fumiyuki Ozawa, J. Am. Chem. Soc., 135, 11791-11794 (2013).
  118. Multi-Step Spin Crossover Accompanied by Symmetry Breaking in an Fe(III) Complex: Crystallographic Evidence and DFT Studies, Zhao-Yang Li, Jing-Wei Dai, Yoshihito Shiota, Kazunari Yoshizawa, Shinji Kanegawa, Osamu Sato, Chem. Eur. J., 19, 12948-12952 (2013).
  119. Quantum Chemical Studies on Dioxygen Activation and Methane Hydroxylation by Diiron and Dicopper Species as well as Related Metal–Oxo Species, Kazunari Yoshizawa, Bull. Chem. Soc. Jpn., 86, 1083-1116 (2013).
  120. Light-induced Spin-crossover Actuated Single-chain Magnet, Tao Liu, Hui Zheng, Soonchul Kang, Yoshihito Shiota, Shinya Hayami, Masaki Mito, Osamu Sato, Kazunari Yoshizawa, Shinji Kanegawa, Chunying Duan, Nature Commun., 4, 2826/1-6 (2013).
  121. Role of Edge Oxygen Atoms on the Adhesive Interaction between Carbon Fiber and Epoxy Resin, Takayuki Semoto, Yuta Tsuji, Hiromasa Tanaka, Kazunari Yoshizawa, J. Phys. Chem. C, 117, 24830-24835 (2013).
  122. Hydrogen Atom Abstraction Reactions Independent of C-H Bond Dissociation Energies of Organic Substrates in Water: Significance of Oxidant-Substrate Adduct Formation, Tomoya Ishizuka, Shingo Ohzu, Hiroaki Kotani, Yoshihito Shiota, Kazunari Yoshizawa, Takahiko Kojima, Chem. Sci., 5, 1429-1436 (2014).
  123. Enantioselective Alkylation by Binaphthyl Chiral Phase-Transfer Catalysts: A DFT-Based Conformational Analysis, Takashi Kamachi, Kazunari Yoshizawa, Org. Lett., 16, 472-475 (2014).
  124. Mechanism of N-H Bond Cleavage of Aniline by a Dearomatized PNP-Pincer Type Phosphaalkene Complex of Iridium(I), Yung-Hung Chang, Yumiko Nakajima, Hiromasa Tanaka, Kazunari Yoshizawa, Fumiyuki Ozawa, Organometallics, 33, 715-721 (2014).
  125. Theoretical study on the ionization of aniline in aqueous solutions, Yoshihiro Matsumura, Kenji Iida, Hirofumi Sato, Chem. Phys. Lett., 584, 103-107 (2013).
  126. Theory and Efficient Computation of Differential Vibrational Spectra, Suguru Sakaguchi, Tatsuya Ishiyama, Akihiro Morita, J. Chem. Phys., 140, 144109 (13 pages) (2014).
  127. Computation of the Free Energy due to Electron Density Fluctuation of a Solute in Solution: A QM/MM Method with Perturbation Approach Combined with a Theory of Solutions, Daiki Suzuoka, Hideaki Takahashi, Akihiro Morita, J. Chem. Phys., 140, 134111 (12 pages) (2014).
  128. Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation, Yusuke Tabe, Nobuaki Kikkawa, Hideaki Takahashi, Akihiro Morita, J. Phys. Chem. C, 118, 977-988 (2014).
  129. Real-Time Observation of the Destruction of Hydration Shells, Akira Yamakata, Eiji Soeta, Tatsuya Ishiyama, Masatoshi Osawa, Akihiro Morita, J. Am. Chem. Soc., 135, 15033-15039 (2013).
  130. Tip-Enhanced Raman Spectroscopy of 4,4′-Bipyridine and 4,4′-Bipyridine N, N’-Dioxide Adsorbed on Gold Thin Films, Izabela I. Rzeznicka, Hideyuki Horino, Nobuaki Kikkawa, Suguru Sakaguchi, Akihiro Morita, Satoshi Takahashi, Tadahiro Komeda, Hiroshi Fukumura, Taro Yamada, Maki Kawai, Surf. Sci., 617, 1-9 (2013).
  131. Molecular Dynamics Study of Water Transfer at Supercooled Sulfuric Acid Solution Surface Covered with Butanol, Suguru Sakaguchi Akihiro Morita, J. Phys. Chem. A, 117, 4602-4610 (2013).
  132. A Molecular Dynamics Study on Inner Pressure of Microbubbles in Liquid Argon and Water, Hideaki Takahashi, Akihiro Morita, Chem. Phys. Lett., 573, 35-40 (2013).
  133. Computational Analysis of the Quadrupole Contribution in the Second-Harmonic Generation Spectroscopy for the Water/Vapor Interface, Kazuya Shiratori, Shoichi Yamaguchi, Tahei Tahara, Akihiro Morita, J. Chem. Phys., 138, 064704 (8 pages) (2013).
  134. A Hybrid MC/MD Reaction Method with Rare Event-Driving Mechanism: Atomistic Realization of 2-Chlorobutane Racemization Process in DMF Solution, M. Nagaoka, Y. Suzuki, T. Okamoto, N. Takenaka, Chem. Phys. Lett., 583, 80-86 (2013).
  135. Polarizable Dissipative Particle Dynamics Simulation of Electrolyte Solutions, T. Kinjo, H. Yoshida, H. Washizu, JPS Conf. Proc. 1, 016017 (2014).
  136. Structure of polyelectrolyte brushes studied by coarse grain simulations, H. Washizu, T. Kinjo, H. Yoshida, Friction, 2, 73-81 (2014).
  137. Transmission-Reflection Coefficient in the Lattice Boltzmann Method, H. Yoshida, H. Hayashi, J. Stat. Phys., 155, 277-299 (2013).
  138. Macroscopic no-slip boundary condition confirmed in full atomistic simulation of oil film, H. Washizu, S. Hyodo, T. Ohmori, N. Nishino, A. Suzuki, Tribology Online, 9, 45-50 (2014).
  139. Search for a Self-Regenerating Perovskite Catalyst with Ab Initio Thermodynamics II: Cu-Doped Layered Perovskites with K2NiF4, S. Yanagisawa, A. Takeda, K. Inagaki, I. Hamada, Y. Morikawa, Catal. Lett., 144, 736-743 (2014).
  140. Study of the lithium/nickel ions exchange in the layered LiNi0.42Mn0.42Co0.16O2 cathode material for lithium ion batteries: experimental and first-principles calculations, H. Yu, Y. Qian, M. Otani, D. Tang, S. Guo, Y. Zhue and H. Zhou, Energy Environ. Sci. 7, 1068 (2014).
  141. Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery, K. Ushirogata, K. Sodeyama, Y. Okuno, Y. Tateyama, J. Am. Chem. Soc., 135, 11967-11974 (2013).
  142. Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: Application to band-structure calculation for some semiconductors and insulators, M. Ochi, K. Sodeyama, S. Tsuneyuki, J. Chem. Phys., 140, 074112 (2014).

2012年度

  1. Effects of Reaction Temperature on the Photocatalytic Activity of Photo-SCR of NO with NH3 over a TiO2 Photocatalyst, Akira Yamamoto, Yuto Mizuno, Kentaro Teramura, Tetsuya Shishido, Tsunehiro Tanaka, Catal. Sci. Technol., 3, 1771-1775 (2013).
  2. Heterogeneous Ni catalyst for Direct Synthesis of Primary Amines from Alcohols and Ammonia, Ken-ichi Shimizu, Kenichi Kon, Wataru Onodera, Hiroshi Yamazaki, Junko N. Kondo, ACS Catal., 3, 112−117 (2013).
  3. Acceptor-free dehydrogenation of secondary alcohols by heterogeneous cooperative catalysis between Ni nanoparticles and acid–base sites of alumina supports, Ken-ichi Shimizu, Kenichi Kon, Katsuya Shimura, Siddiki S.M.A. Hakim, J. Catal., 300, 242–250 (2013).
  4. Heterogeneous cobalt catalyst for accepterless dehydrogenation of alcohols, Ken-ichi Shimizu, Kenichi Kon, Mayumi Seto, Katsuya Shimura, Hiroshi Yamazaki, Junko N. Kondo, Green Chem., 15, 418–424 (2013).
  5. Size- and Support-dependent Pt Nanocluster Catalysis for Oxidant-free Dehydrogenation of Alcohols, Kenichi Kon, S.M.A. Hakim Siddiki, Ken-ichi Shimizu, J. Catal., 304, 63-71 (2013).
  6. Heterogeneous Ni Catalysts for N-Alkylation of Amines with Alcohols, Ken-ichi Shimizu, Naomichi Imaiida, Kenichi Kon, S.M.A. Hakim Siddiki, Atsushi Satsuma, ACS Catal. 3, 998–1005 (2013).
  7. What Are the Active Species in the Photoinduced H2 Production with Terpyridyl Pt(II) Complexes: An Investigation by in Situ XAFS, Martin Martis, Kohsuke Mori, Kazuo Kato, Gopinathan Sankar, Hiromi Yamashita, ChemPhysChem, 14, 1122–1125 (2013).
  8. Pd and Pd-Ag Nanoparticles within a Macroreticular Basic Resin: An Efficient Catalyst for Hydrogen Production from Formic Acid Decomposition, Kohsuke Mori, Masahiro Dojo, Hiromi Yamashita, ACS Catalysis, 3, 1114–1119 (2013).
  9. Activity Controlling Factors for Low-Temperature Oxidation of CO over Supported Pd Catalysts, Atsushi Satsuma, Kaoru Osaki, Masatoshi Yanagihara, Junya Ohyama, Kenichi Shimizu, Appl. Catal. B: Environ., 132-133, 511-518 (2013).
  10. Sodium iron pyrophosphate: A novel 3.0 V iron-based cathode for sodium-ion batteries, Prabeer Barpanda, Tian Ye, Shin-ichi Nishimura, Sai-Cheong Chung, Yuki Yamada, Masashi Okubo, Haoshen Zhou, Atsuo Yamada, Electrochem. Commun., 24, 116-119 (2012).
  11. Magnetic Structure and Properties of the Na2CoP2O7 Pyrophosphate Cathode for Sodium-Ion Batteries: A Supersuperexchange-Driven Non-Collinear Antiferromagnet, Prabeer Barpanda, Maxim Avdeev, Chris D. Ling, Jiechen Lu, Atsuo Yamada, Inorg. Chem., 52, 395-401 (2013).
  12. A layer-structured Na2CoP2O7 pyrophosphate cathode for sodium-ion batteries, Prabeer Barpanda, Jiechen Lu, Tian Ye, Masataka Kajiyama, Sai-Cheong Chung, Naoaki Yabuuchi, Shinichi Komaba, Atsuo Yamada, RSC Advances, 3, 3857-3860 (2013).
  13. A new polymorph of Na2MnP2O7 as a 3.6 V cathode material for sodium-ion batteries, Prabeer Barpanda, Tian Ye, Maxim Avdeev, Sai-Cheong Chung, Atsuo Yamada, J. Mater. Chem. A, 1, 4194-4197 (2013).
  14. High-Throughput Solution Combustion Synthesis of High-Capacity LiFeBO3 Cathode, Prabeer Barpanda, Yasunobu Yamashita, Yuki Yamada, Atsuo Yamada, J. Electrochem. Soc., 160, A3095-A3099 (2013).
  15. Neutron Diffraction Study of the Li-Ion Battery Cathode Li2FeP2O7, Prabeer Barpanda, Gwenaelle Rousse, Tian Ye, Chris D. Ling, Zakiah Mohamed, Yannick Klein, Atsuo Yamada, Inorg. Chem., 52, 3334-3341 (2013).
  16. Aerobic Oxidation of Methanol to Formic Acid on Au8: Benchmark Analysis Based on Completely Renormalized Coupled-Cluster and Density Functional Theory Calculations, Jared A. Hansen, Masahiro Ehara, Piotr Piecuch, J. Phys. Chem. A 117, 10416-10427 (2013).
  17. Facile Halogen Exchange Method between Au(Cl)(L) and MeC(O)X (L = PPh3 and IPr; X = Br and I) via s-Bond Metathesis Supported by DFT Calculation, Atsushi Sanagawa, Hitoshi Kuniyasu, Takanori Iwasaki, Nobuaki Kambe, Karan Bobuatong, Masahiro Ehara, Chem. Lett. 42, 831-832 (2013).
  18. Surface Oxygen Atom as Cooperative Ligand in Pd Nanoparticles Catalysis for Selective Hydration of Nitriles to Amides in Water: Experimental and Theoretical Studies, Ken-ichi Shimizu, Takahiro Kubo, Atsushi Satsuma. Takashi Kamachi, Kazunari Yoshizawa, ACS Catalysis, 2, 2467-2474 (2012).
  19. Nuclear magnetic resonance study on rotational dynamics of water and benzene in a series of ionic liquids: Anion and cation effects, Hiroshi Kimura, Yoshiro Yasaka, Masaru Nakahara, Nobuyuki Matubayasi, J. Chem. Phys., 137, 194503 (10 pages) (2012).
  20. Density effect on infrared spectrum for supercritical water in the low- and medium-density region studied by molecular dynamics simulation, Ken Yoshida, Nobuyuki Matubayasi, Yasuhiro Uosaki, Masaru Nakahara, J. Chem. Phys., 137, 194506 (10 pages) (2012).
  21. Interaction-component analysis of the urea effect on amino acid analogs, Yasuhito Karino, Nobuyuki Matubayasi, Phys. Chem. Chem. Phys., 15, 4377–4391 (2013).
  22. Solvent Effect on Pathways and Mechanisms for D-Fructose Conversion to 5-Hydroxymethyl-2-furaldehyde: In Situ 13C NMR Study, Hiroshi Kimura, Masaru Nakahara, Nobuyuki Matubayasi, J. Phys. Chem. A 117, 2102−2113 (2013).
  23. Effect of heavy hydrogen isotopes on the vibrational line shape for supercritical water through rotational couplings, Ken Yoshida, Nobuyuki Matubayasi, Yasuhiro Uosaki, Masaru Nakahara, J. Chem. Phys., 138, 134508 (12 pages) (2013).
  24. First-principles investigation on the segregation of Pd at LaFe1-xPdxO3-y surfaces, Zhi-xue Tian, Akifumi Uozumi, Ikutaro Hamada, Susumu Yanagisawa, Hidetoshi Kizaki, Kouji Inagaki, Yoshitada Morikawa, Nanoscale Research Letters, 8, 203 (7 pages) (2013).
  25. First-Principles Study of X-ray Absorption Spectra of FeS2, Tamio Oguchi, Hiroyoshi Momida, J. Phys. Soc. Jpn., 82, 065004 (2 pages) (2012).
  26. Calculation of arrangement of oxygen ions and vacancies in double perovskite GdBaCo2O5+d by first-principles DFT with Monte Carlo simulations, Hiromasa Shiiba, Masanobu Nakayama, Toshihiro Kasuga, Robin W. Grimesd, John A. Kilnerd, Phys. Chem. Chem. Phys., 15, 10494–10499 (2013).