| 1 | Computational Chemistry Study on Crystal Growth Process of InGaN/GaN
Akira Miyamoto, and Akira Imamura |
| 2 | Quantum Chemical Calculations of Sulfur Doping Reactions in Diamond CVD
Akira Miyamoto, Mikka N.-Gamo, and Toshihiro Ando
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| 3 | A DFT Study on Peroxo-Complex in Titanosilicate Catalyst: Hydrogen Peroxide Activation on Titanosilicate-1 Catalyst and Reaction Mechanisms for Catalytic Olefin Epoxidation and for Hydroxylamine Formation from Ammonia
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| 4 | Molecular Dynamics Calculations of CO2/N2 Mixture through the NaY Type Zeolite Membrane
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| 5 | A Theoretical Study of Interaction of Oxygen with Noble Metal Clusters
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| 6 | Adsorption Properties of SO2 on Ultrafine Precious Metal Particles Studied Using Density Functional Calculation
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| 7 | Structure and Adsorption Properties of MoO3: Insights from Periodic Density Functional Calculations
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| 8 | Atomistic Crystal Growth Simulation of Metal Oxide Materials
. and Hideomi Koinuma
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| 9 | Effect of S and O on the Growth of CVD Diamond(100) Surfaces
Akira Miyamoto, Mikka N.-Gamo, and Toshihide Ando
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| 10 | Theoretical Study on Fe-Based Metal Clusters: Application in Heterogeneous Catalysis
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| 11 | The Fate of a Cluster Colliding onto a Substrate - Dissipation of Translational Kinetic Energy of the Cluster
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| 12 | Theoretical Design of Heterogeneous Catalysts by Combinatorial Computational Chemistry Approach: Application to Fischer-Tropsch Synthesis
Seiichi Takami, Momoji Kubo, and Akira Miyamoto
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| 13 | Design of Most Active Catalysts for Methanol Synthesis: Combinatorial Computational Chemistry Approach
Momoji Kubo, and Akira Miyamoto
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| 14 | Periodic Density Functional Study on Adsorption Properties of Lubricant Molecules on Clean Metal Surface
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