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Department Of Molecular Chemistry And Engineering Tohoku University | 論文
- 金属粒子担持によるSiO_2薄膜中での電荷減少Si^種の生成-シリカ担持金属触媒における金属-担体間電子的相互作用の可能性-
- Quantum chemical investigation of excited state and photo-induced catalysis (第93回触媒討論会B講演予稿 テーマ「グリーンケミストリー」)
- Tight-Binding Quantum Chemical Molecular Dynamics Study on Interfacial Electron Transfer in Dye-Sensitized Anatase (001) Surface
- Development of Multi-Scale Electrical Conductivity Simulator with the Joule Heating Module and its Application to Polycrystalline SiO_2
- Influence of Chemical Topology on the Electrical Properties of Carbon Black-A Theoretical Study
- Development of a Seebeck Coefficient Prediction Simulator Using Tight-Binding Quantum Chemical Molecular Dynamics
- Development of the multi-scale simulator for the dye-sensitized TiO_2 nanoporous electrode based on quantum chemical calculation
- A Theoretical Approach for Developing New p-Type Transparent Conducting Metal Oxide
- Theoretical Study on the Photophyscial Properties of an Efficient Sensitizer for Nanocrystalline TiO_2-Based Solar Cells
- Development of A Combined Thermal Conductivity Prediction Simulator Including Conduction Electron and Lattice Vibration Effects
- Theoretical Study on the Electronic and Structural Properties of p-Type Transparent Conducting Metal Oxides
- Development of Accelerated Large-Scale Electronic Structure Calculation Program for Designing of Rare Earth Phosphors
- A Theoretical Study of the Effect of Eu ion Dopant on the Electronic Excitations of Yttrium Oxide and Yttrium Oxy-Sulphide
- Study on the Role of Oxygen Vacancies of Indium Tin Oxide by Density Functional Theory and Accelerated Quantum Chemical Molecular Dynamics Method
- A Theoretical Study on Influence of Oxygen Vacancies on the Electronic Properties of Indium Oxide and Indium Tin Oxide
- Tight-Binding Quantum Chemical Calculations of Electronic Structures of Indium Tin Oxide
- Accelerated Quantum Chemical Molecular Dynamics Study on the Properties of Organic Light-Emitting Diodes
- Theoretical Investigation of the Electronic Properties of PEDOT : PSS Conducting Polymer on Indium Tin Dioxide (ITO) Surface : an Accelerated Quantum Chemical Molecular Dynamics Method
- Molecular Dynamics and Quantum Chemical Molecular Dynamics Approach to Design of MgO Protecting Layer in Plasma Display
- Theoretical Design of MgO Protecting Layer in Plasma Display by New Kinetic Monte Carlo Simulator