Search Results - Kodaya, Yoshitomo

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  1. 1
    Search for Crystal Structure Candidates by Applying the Generalized Scaled Hypersphere Search Method to Volume of Unit Cell Containing Quasi Rigid Body Approximated Atoms and Molecules

    Search for Crystal Structure Candidates by Applying the Generalized Scaled Hypersphere Search Method to Volume of Unit Cell Containing Quasi Rigid Body Approximated Atoms and Molec... by Midoro, Yuuki, Oki, Takuto, Kodaya, Yoshitomo, Yamakado, Hideo

    Published in Chemistry letters
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  2. 2
    Quantum chemical exploration of formaldehyde clusters (H2CO)n (n = 2–4)

    Quantum chemical exploration of formaldehyde clusters (H2CO)n (n = 2–4) by Ohno, Koichi, Kodaya, Yoshitomo, Yamakado, Hideo

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  3. 3
    Conformation Search of Glycine by Applying the Scaled Hypersphere Search Method to Discrete Atoms in the Molecule

    Conformation Search of Glycine by Applying the Scaled Hypersphere Search Method to Discrete Atoms in the Molecule by Midoro, Yuuki, Kodaya, Yoshitomo, Oki, Takuto, Mukai, Akira, Yamakado, Hideo, Ohno, Koichi

    Published in Chemistry letters
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  4. 4
    Geometry optimizations and evaluation of electronic properties of prism carbon tubes by density functional theory using plane waves

    Geometry optimizations and evaluation of electronic properties of prism carbon tubes by density functional theory using plane waves by Kodaya, Yoshitomo, Oki, Takuto, Yamakado, Hideo, Tokoyama, Hiroaki, Ohno, Koichi

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  5. 5
    Limited Search Characteristics of the Scaled Hypersphere Search Method: A Systematic Case Study for Isomers of BCNOS

    Limited Search Characteristics of the Scaled Hypersphere Search Method: A Systematic Case Study for Isomers of BCNOS by Kodaya, Yoshitomo, Yamakado, Hideo, Ohno, Koichi

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  6. 6
    Crystal Structure Exploration of Boron Nitride Polymorphs Using Anharmonic Downward Distortion Following Method with Potential Energy Surface Modified by the Inverse of Lattice Volume

    Crystal Structure Exploration of Boron Nitride Polymorphs Using Anharmonic Downward Distortion Following Method with Potential Energy Surface Modified by the Inverse of Lattice Vol... by Kodaya, Yoshitomo, Oki, Takuto, Yamakado, Hideo, Tokoyama, Hiroaki, Ohno, Koichi

    Published in Chemistry letters
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  7. 7
    Searching the crystal structure of silicon using the generalized scaled hypersphere search method with the rapid nuclear motion approximation

    Searching the crystal structure of silicon using the generalized scaled hypersphere search method with the rapid nuclear motion approximation by Midoro, Yuuki, Kodaya, Yoshitomo, Yamakado, Hideo, Ohno, Koichi

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