Search Results1-20 of  35

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  • ISHIMOTO Takayoshi ID: 9000002009689

    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology (2008 from CiNii)

    Articles in CiNii:3

    • 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)
    • Ab Initio MO-MD Simulation Based on the Fragment MO Method : A Case of (-)-Epicatechin Gallate with STO-3G Basis Set (2008)
    • FMO-MO Method as an Initial Guess Generation for SCF Calculation : Case of (-)-Epicatechin Gallate (2008)
  • ISHIMOTO Takayoshi ID: 9000002105879

    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology (2008 from CiNii)

    Articles in CiNii:1

    • Geometrical and Kinetic Isotope Effects on R-H(D)…R Type Intramolecular Hydrogen Bonds (R = CH_2, NH, and O) Using a Multi-Component Molecular Orbital Method (2008)
  • ISHIMOTO Takayoshi ID: 9000002162516

    Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology (2008 from CiNii)

    Articles in CiNii:1

    • Molecular Structure Optimization and Molecular Dynamics Using Hamiltonian Algorithm : Structure of Benzodiazepine Minor Tranquilizers : Towards Non-Empirical Drug Design (2008)
  • ISHIMOTO Takayoshi ID: 9000003253052

    Grid Technology Research Center, National Institute of Advanced Industrial Science and Technology (2004 from CiNii)

    Articles in CiNii:1

    • 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: 9000003432209

    Articles in CiNii:35

    • Characters of eigenvalue problem to be solved in a large molecular orbital calculation (2008)
    • Proposal of Performance Index for Microstructure Optimization of Solid Oxide Fuel Cell Anode based on Porous Structure Simulator (2009)
    • Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni & alloy (111) under Realistic Conditions (2009)
  • ISHIMOTO Takayoshi ID: 9000018650613

    INAMORI Frontier Research Center, Kyushu University (2010 from CiNii)

    Articles in CiNii:1

    • Systematic Improvement of Energy-Components by Simultaneous Optimization of Exponents and Centers of Gaussian-Type Function Basis Sets for Molecular Self-Consistent-Field Wave Functions (2010)
  • ISHIMOTO Takayoshi ID: 9000018650616

    INAMORI Frontier Research Center, Kyushu University (2010 from CiNii)

    Articles in CiNii:1

    • Optimized Molecular Exponents on Gaussian Basis Sets for Hybrid Orbitals of Hydrocarbon Molecules (2010)
  • ISHIMOTO Takayoshi ID: 9000045864578

    Grid Technology Research Center, National Institute of Advanced Industrial Science and Technology:CREST, Japan Science and Technology Agency (2005 from CiNii)

    Articles in CiNii:1

    • Isotope Effect on Hydrogen (Deuterium)-Absorbing Pt Clusters Calculated by the Multi-Component Molecular Orbital Method (2005)
  • ISHIMOTO Takayoshi ID: 9000240045579

    Inamori Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan| CREST, Japan Science and Technology Agency K's Gobancho, 7, Gobancho, Chiyoda-ku, Tokyo 102-0076, Japan (2013 from CiNii)

    Articles in CiNii:1

    • Applications of Computational Chemistry to Designing Materials and Microstructure in Fuel Cell Technologies (2013)
  • ISHIMOTO Takayoshi ID: 9000265247134

    INAMORI Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan (2014 from CiNii)

    Articles in CiNii:1

    • 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|CREST, Japan Science and Technology Agency, 7 Gobancho, Chiyoda-ku, Tokyo 102-0076, Japan (2015 from CiNii)

    Articles in CiNii:1

    • Parallel Performance Analysis for Electronic Structure Calculation of Metal Nanoparticles (2015)
  • ISHIMOTO Takayoshi ID: 9000308729939

    Inamori Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (2015 from CiNii)

    Articles in CiNii:1

    • Molecular Dynamics Study on Diffusion Property of Pt Atoms in Ni-Pt Nanoparticle (2015)
  • ISHIMOTO Takayoshi ID: 9000309183800

    CREST, Japan Science and Technology Agency, Tokyo 102-0076, Japan.| INAMORI Frontier Research Center, Kyushu University, Fukuoka 819-0395, Japan. (2015 from CiNii)

    Articles in CiNii:1

    • Theoretical Analysis of Cation Diffusion Pathway in SOFC Electrolyte (2015)
  • ISHIMOTO Takayoshi ID: 9000345298709

    INAMORI Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan (2016 from CiNii)

    Articles in CiNii:1

    • Theoretical Study of Hydrogen Bonds in Water Nanodroplet on Graphene (2016)
  • ISHIMOTO Takayoshi ID: 9000391667956

    INAMORI Frontier Research Center, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan (2016 from CiNii)

    Articles in CiNii:1

    • Theoretical Study on Rotational Constants of CH<sub>3</sub>O/CD<sub>3</sub>O Induced by Geometrical Isotope Effect (2016)
  • ISHIMOTO Takayoshi ID: 9000392162707

    九州大学稲盛フロンティア研究センター (2016 from CiNii)

    Articles in CiNii:1

    • Analysis of Heat Transfer Mechanism at Hydrophilic/Hydrophobic Surfaces Using Molecular Dynamics Simulation (2016)
  • ISHIMOTO Takayoshi ID: 9000413751759

    Graduate School of Nanobioscience, Yokohama City University|Graduate School of Advanced Science and Engineering, Hiroshima University (2021 from CiNii)

    Articles in CiNii:1

    • First-Principles Calculations of Stability, Electronic Structure, and Sorption Properties of Nanoparticle Systems (2021)
  • Ishimoto Takayoshi ID: 9000022829241

    Articles in CiNii:1

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

    Articles in CiNii:1

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

    Articles in CiNii:1

    • Mode-selective internal conversion of perylene (2011)
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