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Department Of Molecular Chemistry And Engineering Tohoku University | 論文
- Mechanism of Layer-by-Layer Homoepitaxial Growth of SrTiO_3 (100) as Investigated by Molecular Dynamics and Computer Graphics
- Development of New Kinetic Monte Carlo Simulator for Theoretical Design of MgO Protecting Layer in Plasma Display
- Theoretical Calculations on Electronic Structure and Catalytic Reaction of Organo-f-element Complexes
- 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
- Atomistic Crystal Growth Process of Metal Oxide Electronics Materials : Theoretical Simulation Studies
- Quantum Chemical Calculations of Sulfur Doping Reactions in Diamond CVD
- Molecular Orbital Calculations of Sulfur Doping Reactions in Diamond CVD
- Computational Chemistry Study on Initial Stages of Nitridation of Silicon Surfaces
- Molecular Dynamics Simulations of Adhesional Forces via Hydrocarbon Films
- Nonlinear Susceptibility of Second Harmonic Generation Corresponded to the Diamond(100)Surface Structures
- Development of New Tight-Binding Molecular Dynamics Program to Simulate Chemical-Mechanical Polishing Processes
- Development of New Tight-Binding Molecular Dynamics Program to Simulate Chemical-Mechanical Polishing Processes
- Theoretical Simulation of Dielectric Breakdown by Molecular Dynamics and Tight-Binding Quantum Chemistry Methods
- Theoretical Investigation of Electrical and Electronic Properties of Carbon Materials
- Investigation of the Electrical and Electronic Properties of Semiconductor Oxide Gas Sensors by Tight-Binding Quantum Calculations