Search Results1-20 of  73

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  • NAGASHIMA Umpei ID: 9000001093121

    (独) 産業技術総合研究所グリッド研究センター (2003 from CiNii)

    Articles in CiNii:1

    • What is Given by Molecular Simulation? : From Molecule to Molecular Aggregation (2003)
  • NAGASHIMA Umpei ID: 9000001809788

    Grid Technology Research Center, AIST (2006 from CiNii)

    Articles in CiNii:2

    • Chemical Shifts in ESCA and NMR : The Case of Bridged Trichlorosilyl-Trimethylsilyl Molecules (2006)
    • Chemical Shifts in ESCA and NMR: The Case of Bridged Trichlorosilyl-Trimethylsilyl Molecules (2006)
  • NAGASHIMA Umpei ID: 9000002009691

    Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (2012 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)
    • Computational Study of Excited-State Intramolecular-Proton-Transfer of o-Hydroxybenzaldehyde and Its Derivatives (2009)
    • A Revisit to Molecular Orbitals in H_2^+, LiH, HF, and Hybridization (2012)
  • NAGASHIMA Umpei ID: 9000002105881

    Graduate School of Pure and Applied Sciences, University of Tsukuba (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)
  • NAGASHIMA Umpei ID: 9000002162518

    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)
  • NAGASHIMA Umpei ID: 9000003253059

    Research Institute for Computational Science (RICS), National Institute of Advanced Industrial Science and Technology (AIST) (2010 from CiNii)

    Articles in CiNii:5

    • Molecular Geometry of the Photooxygenation Product of Diphenanthro[5,4,3-abcd:5',4',3'-jklm]perylene (1993)
    • Spherical Charge Analysis with Ab Initio Wave Functions : Modefied Oxidation Number of Open Shell Molecule, Ch_2 (1995)
    • A Hybrid Data Base : Quantum Chemistry Literature Data Base II : New Concept and New Methodology (2010)
  • NAGASHIMA Umpei ID: 9000004477579

    Nanosystem Research Institute (NRI), National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan (2012 from CiNii)

    Articles in CiNii:11

    • Supercomputing Applications in Computational Chemistry (1992)
    • 化学における計算機シミュレーション-計算機シミュレーションを特集するにあたって- (2001)
    • Grid Computing(第1回 : 基盤技術) (2002)
  • NAGASHIMA Umpei ID: 9000004793019

    Faculty of Science, Ochanomizu University:(Present)National Institute of Materials and Chemical Reactions (1999 from CiNii)

    Articles in CiNii:1

    • Floating-Point Divide Operation without Special Hardware Supports (1999)
  • NAGASHIMA Umpei ID: 9000017035980

    Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology (2009 from CiNii)

    Articles in CiNii:1

    • Dependence of Chemical Shift Difference on Core-Level (2009)
  • NAGASHIMA Umpei ID: 9000018650606

    Research Institute of Computational Science, National Institute of Advanced Industrial Science and Technology (2009 from CiNii)

    Articles in CiNii:1

    • Solvent-Polarity Dependence of Antioxidant Kinetics of Vitamin E (2009)
  • NAGASHIMA Umpei ID: 9000018650627

    National Institute of Advanced Industrial Science and Technology (2010 from CiNii)

    Articles in CiNii:1

    • Generation of a Novel Equation for Molecular Boiling Point Estimation Using a Neural Network : Development of a Computer Aided Molecular Design System : MolWorks (2010)
  • NAGASHIMA Umpei ID: 9000018650647

    Graduate School of Pure and Applied Sciences, University of Tsukuba (2010 from CiNii)

    Articles in CiNii:1

    • Quantitative Proteomic Analysis System : i-OPAL (2010)
  • NAGASHIMA Umpei ID: 9000020127526

    Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan|Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan (2012 from CiNii)

    Articles in CiNii:1

    • Structure-activity Relationship of α,β-Unsaturated Ketones for the Suppression of Tumor Necrosis Factor-α and Nitric Oxide Production in Lipopolysaccharide-stimulated Macrophages and Their Molecular Orbital Energies (2012)
  • NAGASHIMA Umpei ID: 9000020172837

    National Institute of Advanced Industrial Science and Technology (2010 from CiNii)

    Articles in CiNii:1

    • Generation of a Novel Equation for Molecular Boiling Point Estimation Using a Neural Network -Development of a Computer Aided Molecular Design System: MolWorks-:-Development of a Computer Aided Molecular Design System: MolWorks- (2010)
  • NAGASHIMA Umpei ID: 9000021309790

    Graduate School of Pure and Applied Sciences, University of Tsukuba|Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (2010 from CiNii)

    Articles in CiNii:1

    • Quantitative Proteomic Analysis System: <span class="x-">i-</span>OPAL (2010)
  • NAGASHIMA Umpei ID: 9000021443700

    National Institute of Materials and Chemical Research, MITI 1-1 Azuma, Tsukuba 305-8565, Japan. (1999 from CiNii)

    Articles in CiNii:1

    • Data Mining from Near-infrared Spectra of Plastics by 1/f Fluctuation. (2). The Case of Flat Spectra of Dark Colored Plastics. (1999)
  • NAGASHIMA Umpei ID: 9000021519253

    Research Institute of Computational Science, National Institute of Advanced Industrial Science and Technology (2007 from CiNii)

    Articles in CiNii:1

    • Extraction of a Parameter as an Index to Assess Water Quality of the Tamagawa, Tokyo, Japan, by Using Neural Networks and Multivariate Analysis (2007)
  • NAGASHIMA Umpei ID: 9000021577388

    Grid Technology Research Center, National Institute for Advanced Industrial Science and Technology (2007 from CiNii)

    Articles in CiNii:1

    • High-Speed Pseudo-Orthogonalization for the Car-Parrinello Method (2007)
  • NAGASHIMA Umpei ID: 9000021606167

    Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency (JST)|Research Institute of Computational Sciences, National Institute of Advanced Industrial Science and Technology (2007 from CiNii)

    Articles in CiNii:1

    • Construction of a Model for Water Purification Mechanisms in a River by Using a Neural Network Approach (2007)
  • NAGASHIMA Umpei ID: 9000045864581

    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)
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