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Department of Materials Chemistry, Graduate School of Engineering, Tohoku University | 論文
- Adsorption Properties of CH_3OH on Al(111) and Fe(100) Surfaces : A Periodic First-Principles Investigation
- A Catalytic Asymmetric Michael Reaction of Silyl Enol Ethers with α,β-Unsaturated Ketones Using a Chiral Titanium Oxide
- Stereoselective Synthesis of 1,2-cis-Arabinofuranosides Using a Titanium Catalyst
- Investigation of Hydrogen Chemisorption on GaAs(111)A Ga Surface by In Situ Monitoring and Ab Initio Calculation
- Quantum Chemical Molecular Dynamics Studies on the Chemical Mechanical Polishing Process of Cu Surface
- A Theoretical Study on the Realistic Low Concentration Doping in Silicon Semiconductors by Accelerated Quantum Chemical Molecular Dynamics Method
- Quantum Chemical Molecular Dynamics Simulation of the Plasma Etching Processes
- Tight-Binding Molecular Dynamics Study of Hydrogen Molecule Inside Silicon Crystal
- Tight-binding Molecular Dynamics Simulation of Desorbed SiO Molecule during the Oxidation of Si(111) Surface
- Quantum Chemical Study on the Interaction of NF3 with Si
- Tight-Binding Molecular Dynamics Simulation of Desorbed SiO Molecule during the Oxidation of Si(111) Surface
- Structural Properties of Li_xMn_2O_4 as Investigated by Molecular Dynamics and Density Functional Theory
- Periodic Boundary Quantum Chemical Study on ZnO Ultra-Violet Laser Emitting Materials
- Periodic Boundary Quantum Chemical Study on ZnO Ultra-Violet Laser Emitting Materials
- Potential Energy Surface and Dynamics of Pd/MgO(001)System as Investigated by Periodic Density Functional Calculations and Classical Molecular Dynamics Simulations
- Investigation of Thermal Annealing Process of GaN Layer on Sapphire by Molecular Dynamics
- Investigation of Initial Growth Process of GaN Film on Sapphire Using Computational Chemistry
- Investigation of Growth Process of GaN Film on Sapphire by Computational Chemistry
- Computational Studies on GaN Surface Polarity and InN/GaN Heterostructures by Density Functional Theory and Molecular Dynamics
- Study on Surface Polarity of GaN by Density Functional Theory and Molecular Dynamics