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日本コンピュータ化学会 | 論文
- Pharmacophore Refinement in the Chemical Structure Space
- c-Edit: Input-Interface for e-Learning in Chemistry
- 論文誌"Journal of Computer Chemistry, Japan"の電子投稿にチャレンジしてみて
- An Extended van der Waals Equation of State Based on Molecular Dynamics Simulation
- Regiospecific Addition of La@C82 with Alkylidene, Alkyl Radical and Carbanion : Prediction of Regioisomers by Using "Paired Interacting Orbitals" (PIO) Analysis
- 3D Molecular Similarity: Method and Algorithms
- Theoretical Studies of the β-Hydrogen Elimination from π-Allyl Palladium Complexes
- Visualization Resources : To Better Utilize Lab-Time and to Enhance Teaching Introductory Chemistry Laboratory
- Solvent-Polarity Dependence of Antioxidant Kinetics of Vitamin E
- コンピュータと共に
- Superconductivity : An Off-Diagonal Long Range Order
- Crystal Structure of 3MgO・2CO_2 Solved by Monte Carlo Simulation
- 「Change & Challenge」
- Molecular Structure, Vibrational Spectra and Potential Energy Distribution of Colchicine Using ab Initio and Density Functional Theory
- Development of MagSaki(A) Software for the Magnetic Analysis of Dinuclear High-spin Cobalt(II) Complexes Considering Anisotropy in Exchange Interaction
- Structural Prediction for a Chiral Copper(II) Complex in Solution by Circular Dichroism Spectra
- Several Molecular Orbital Computations for a Dinuclear Nickel(II) Complex
- 新規分子構造表示プログラム Makiko の開発
- 計算機シミュレーションを用いたRNA結合タンパク質 Pumilio のRNA結合様式の研究
- AutoCAD Add-on for Simplified Design of Microfluidic Devices