The Journal of Computer Chemistry, Japan, Vol. 1, No. 1 (2002)

General Papers

• Extraction of Bonding Parameter Characterizing Infrared Absorption Intensity of Freon Alternatives by Sensitivity Analysis and Differential Coefficient Analysis of Input Data for Neural Network

  Tomoko FUKUDA, Takatoshi MATSUMOTO, Kazutoshi TANABE, Umpei NAGASHIMA and Tomoo AOYAMA

• New Structure Deformation Algorithm for Monte Carlo Simulation of Protein Folding

  Toshiyuki MEGURO and Ichiro YAMATO

• Prediction of Carcinogenicity of Chlorine-containing Organic Compounds by Neural Network

  Kazutoshi TANABE and Takatoshi MATSUMOTO

• Parallel Programming with Message Passing Library and Its Precision of Calculation

  Katsuhiro TAMURA, Yuichi INADOMI and Umpei NAGASHIMA

• Development of Analyzer for Photoluminescence Quenching in a Solid Matrix

  Hidenobu SHIROISHI, Kazuhisa SUZUKI, Michiko SEO, Sumio TOKITA and Masao KANEKO