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日本コンピュータ化学会 | 論文
- Development of a CAI Program Utilizing Spreadsheet Data Files and a Collection of Data.
- ハイブリッドシミュレーションに適応した可視化ソフトウェアAkiraの開発
- Prediction of Vibrational Spectra by Computational Chemistry
- Antioxidation Mechanisms of Catechins : A Computational Study
- Analysis of Rate-determining Factors in the Oxidative Reaction of Monolignols by Peroxidase-H2O2 System
- 解説 軌道相互作用理論に基づく触媒反応活性の予測
- Vibrational Analysis of Phenol and Its Chloro-Substituted Derivatives in Low-Temperature Argon Matrices by Density Functional Theory
- 解説 化学物質のリスクアセスメントとシステム開発
- Development of a Set of BASIC Subroutines for CAI Programming.
- Development of Software for Chemical Education Using Multimedia Techniques.
- Equation of State for a Perfect Solid and Its Application to the Solid-Gas Equilibrium of Argon
- Conformational Analysis of Homooligopeptides Prepared From Isovaline and Diethylglycine : Molecular Mechanics Study
- Display of the molecular dynamics simulation results by Web browser
- Crystal Structures of Lipids by the Intermolecular Energy Calculation.
- Membrane Bioreactor における膜差圧予測モデル構築手法の開発
- Visualization of Atomic Orbitals of the Hydrogen Atom.
- Prediction of Vibrational Spectra by Computational Chemistry
- 解説 高分子データベース PoLyInfo
- Transition States Involved in Intramolecular Diels-Alder Reactions of 2-Pent-4-yn-1-ylpyrimidines
- Computer Network for Chromatogram Analysis. II. Program "Chroplot" for Chromatogram Analysis.:Program "Chroplot" for Chromatogram Analysis