検索結果33件中 1-20 を表示

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  • Ishimoto Takayoshi ID: 9000019273232

    CiNii収録論文: 1件

    • Isotope Effect in Hydrogen/Deuterium-absorbing Pd Nanoparticles Revealed by X-ray Powder Diffraction and by a Multi-component MO Method (2004)
  • Ishimoto Takayoshi ID: 9000019352595

    CiNii収録論文: 1件

    • Isotope Effect on Hydrogen (Deuterium)-Absorbing Pt Clusters Calculated by the Multi-Component Molecular Orbital Method (2005)
  • Ishimoto Takayoshi ID: 9000022829241

    CiNii収録論文: 1件

    • Internal conversion in the S_1^1B_[3u] state of pyrene (2012)
  • Ishimoto Takayoshi ID: 9000023378057

    CiNii収録論文: 1件

    • Geometrical structure of benzene and naphthalene: ultrahigh-resolution laser spectroscopy and ab initio calculation. (2011)
  • Ishimoto Takayoshi ID: 9000023423142

    CiNii収録論文: 1件

    • Mode-selective internal conversion of perylene (2011)
  • Ishimoto Takayoshi ID: 9000024228946

    CiNii収録論文: 1件

    • Ultrahigh-resolution laser spectroscopy of the S1 1B2u←S0 1Ag transition of perylene (2010)
  • Ishimoto Takayoshi ID: 9000240037184

    INAMORI Frontier Research Center, Kyushu University (2014年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Density Functional Theory Study of Sulfur Poisoning on Nickel Anode in Solid Oxide Fuel Cells: Effects of Surface and Subsurface Sulfur Atoms (2014)
  • ISHIMOTO Takayoshi ID: 9000240045579

    Inamori Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan (2013年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Applications of Computational Chemistry to Designing Materials and Microstructure in Fuel Cell Technologies (2013)
  • Ishimoto Takayoshi ID: 9000255702082

    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology|Core Research for Evolutional Science and Technology, Japan Science and Technology Agency (2007年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Difference in the Potential Energy Surfaces from the Fragment MO Method and Conventional Ab Initio SCF-MO Method. A Case of a Surface for Ring Rotation of (-)-Epicatechin Gallate Using the STO-3G Basis Set (2007)
  • Ishimoto Takayoshi ID: 9000255702206

    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology|Core Research for Evolutional Science and Technology, Japan Science and Technology Agency (2008年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Ab Initio MO-MD Simulation Based on the Fragment MO Method. A Case of (-)-Epicatechin Gallate with STO-3G Basis Set (2008)
  • Ishimoto Takayoshi ID: 9000255702464

    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, CREST-JST (2008年 CiNii収録論文より)

    CiNii収録論文: 1件

    • FMO-MO Method as an Initial Guess Generation for SCF Calculation: Case of (-)-Epicatechin Gallate (2008)
  • Ishimoto Takayoshi ID: 9000256027003

    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology|CREST, Japan Science and Technology Agency (2008年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Geometrical and Kinetic Isotope Effects on R-H(D)...R Type Intramolecular Hydrogen Bonds (R = CH2, NH, and O) Using a Multi-Component Molecular Orbital Method (2008)
  • Ishimoto Takayoshi ID: 9000256027120

    Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology|Core Research for Evolutional Science and Technology, Japan Science and Technology Agency (2008年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Molecular Structure Optimization and Molecular Dynamics Using Hamiltonian Algorithm: Structure of Benzodiazepine Minor Tranquilizers-Towards Non-Empirical Drug Design- (2008)
  • Ishimoto Takayoshi ID: 9000258199277

    Grid Technology Research Center, National Institute of Advanced Industrial Science and Technology (2004年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Isotope Effect in Hydrogen/Deuterium-absorbing Pd Nanoparticles Revealed by X-ray Powder Diffraction and by a Multi-component MO Method (2004)
  • Ishimoto Takayoshi ID: 9000258200023

    Grid Technology Research Center, National Institute of Advanced Industrial Science and Technology|CREST, Japan Science and Technology Agency (2005年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Isotope Effect on Hydrogen (Deuterium)-Absorbing Pt Clusters Calculated by the Multi-Component Molecular Orbital Method (2005)
  • ISHIMOTO Takayoshi ID: 9000265247134

    INAMORI Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan (2014年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Theoretical Study on Interaction Energy between Water and Graphene Model Compounds (2014)
  • ISHIMOTO Takayoshi ID: 9000305640911

    INAMORI Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan (2015年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Parallel Performance Analysis for Electronic Structure Calculation of Metal Nanoparticles (2015)
  • Ishimoto Takayoshi ID: 9000326666078

    CiNii収録論文: 1件

    • A Synthetic Pseudo-Rh: NO_x Reduction Activity and Electronic Structure of Pd-Ru Solid-solution Alloy Nanoparticles. (2016)
  • ISHIMOTO Takayoshi ID: 9000345298709

    INAMORI Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan (2016年 CiNii収録論文より)

    CiNii収録論文: 1件

    • Theoretical Study of Hydrogen Bonds in Water Nanodroplet on Graphene (2016)
  • Ishimoto Takayoshi ID: 9000379595434

    CiNii収録論文: 1件

    • Molecular dynamics simulation based on the multi-component molecular orbital method : Application to H_5O_2^+, D_5O_2^+, and T_5O_2^+ (2012)
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