| 1 | Quantum
Chemical Studies for Oxidation of Morpholine by Cytochrome
P450
|
| 2 | Computational
Evaluation of Electrical Conductivity on SiC and the Influence
of Crystal Defects
|
| 3 | Multi-level
Simulation Study of Crystal Growth and Defect Formation Processes
in SiC
|
| 4 | Simulation Study
for HTCVD of SiC Using First-Principles Calculation and Thermo-Fluid
Analysis
|
| 5 | Study of Carbon
Monoxide Oxidation on CeO2(111) Using Ultra Accelerated Quantum
Chemical Molecular Dynamics
|
| 6 |
An Electrical
Conductivity Prediction Simulator based on TB-QCMD and KMC.
System Development and Applications
|
| 7 |
Ultra Accelerated
Quantum Chemical Molecular Dynamics Study On Ethylene Polymerization Reaction Using CpSiH2NHTiCl2
- Constrained Geometry Catalyst
|
| 8 |
A DFT Study
on the carbamates formation through the absorption of CO2
by AMP
|
| 9 |
A Theoretical
Study of Initial Deposition Processes of Mg on MgO: A Novel
Quantum Chemical Molecular Dynamics Approach
|
|
10 |
Density Functional
Studies on the Structure and Reverse Hydrogen Spillover in
Au-6 Cluster Supported on Zeolite
|
|
11 |
Enhanced Gas-Sensing
Behaviour of Ru Doped SnO2 Surface: A Periodic Density Functional
Approach
|
|
12 |
Dynamics of
Hydrogen Spillover on Pt/g-Al2O3 Catalyst Surface: A Quantum
Chemical Molecular Dynamics Study
|
|
13 |
408. Multi-Scale
Theoretical Study of Support Effect on Sintering Dynamics
of Pt
|
| 14 |
Development
of a Multi-Scale Electromigration Simulator Based on a Combination
of UA-QCMD and KMC Methods. Application to Cu Interconnects
Lifetime Simulation
|
| 15 |
Development
and Application of Sintering Dynamics Simulation for Automotive
Catalyst
|
|
16 |
Influence of
Nanometer Scale Film Structure of ZDDP Tribofilm on Its Mechanical
Properties: A Computational Chemistry Study
|
|
17 |
A Computational
Chemistry Study on Friction of h-MoS2 Part I: Mechanism of Single
Sheet Lubrication |
| 18 | Novel Method Based on Quantum Chemistry for Calculation of Ion Induced Secondary Electron Emission Coefficient of MgO Surfaces
Japanese Journal of the Applied Physics 48 (2009) 04C145
Kazumi Serizawa, Hiroaki Onuma, Hiromi Kikuchi, Masaki Kitagaki, Itaru Yamashita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Hiroshi Kajiyama, Akira Miyamoto |
| 19 | Comprehensive Model for Fuel Cell Exergetic Performance Which Includes Both ASR and Electronic Shorting
ECS Transactions Vol17(2009)139-148
M. C. Williams and A.Virkar, K. Yamaji, T. Horita, H. Yokokawa,A. Miyamoto and M. Koyama |
| 20 | Simulation of Electron Diffusion in TiO2 Porous Structures in Dye-Sensitized Solar Cells
Japanese Journal of the Applied Physics 48 (2009) 04C166
Kei Ogiya, Chen Lv, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto |
| 21 | A Graph Theoretical Approach for Assessing Bio-Macromolecular Complex Structural Stability
Journal of Molecular Modeling 15 (2009) 1349-1370
Carlos A. Del Carpio, Mihai Iulian Florea, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Eiichiro Ichiishi, Akira Miyamoto |