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日本コンピュータ化学会 | 論文
- Identification of Infrared Spectra by Neural Network.
- 原油増進回収におけるCO2/油系溶解現象の分子動力学解析:SCCJ Annual Meeting 2014 Spring Award Article (JCCJ Vol. 12, No. 4, pp.222–229 論文賞受賞講演のため要旨を再録)
- Development of Multimedia Teaching Materials in Chemistry Education and the Educational Effect of Video Movie with QuickTime.
- 使える理論・情報・計算化学
- Theoretical Study on Interaction Energy between Water and Graphene Model Compounds
- A proposal of visualization of mineral components for the exploration of the oil and gas reservoirs
- Development of Molecular Visualization Package using Mathematica
- Activation Energies for Addition of Fluoromethyl Radicals to Fluoroethylenes
- Prediction of Vibrational Spectra by Computational Chemistry
- 解説 New-γを用いた電子スペクトルのPPP分子軌道法計算
- Comparison Algorithm of Protein Sequences by Introducing a Lookup Table.
- Prediction of Carcinogenicity of Organic Chlorine-containing Compounds by Neural Network
- Porting UNICS III, the computation system for X-ray crystal structure analysis, to the personal computer and the engineering workstation.
- Computer Simulation of Methanol Swelling of Coal Molecules
- Development of an Electronic Picture Book of Molecules. A Volume of Basic Organic Compounds.
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- A High Dimensional Optimization Approach Based on Simplex Method and Its Evaluation by Separation of Overlapped Peaks.
- Development of a Molecular Graphics Program on Sun Workstation
- Diagonal Born-Oppenheimer Correction Based on Spin-Free Relativistic Hamiltonians
- ネットワーク分散処理と分子シミュレーション