The Journal of Computer Chemistry, Japan, Vol. 5, No. 4 (2006)

General Papers

• Influence of Volume Fluctuation on End-over-End Rotational Dynamics for a Nematic Liquid-Crystal Phase Molecular-Dynamics Simulation

  Katsuhiko SATOH

• High-Spin Stability of Triiminiummethane Ion
  -A Comparative Study with Trimethylenemethane-

  Masashi HATANAKA and Ryuichi SHIBA

• Development of Software Tools to Analyze the Structure ID of C₆₀R_n (n = 0-30)

  Tatsuo TOIDA, Katsumi UCHIDA, Tadahiro ISHII and Hirofumi YAJIMA

• Comprehensive Analysis of Peak Counts and Peak Proportions in NMR Spectra of C₆₀R_n(n = 0-30)

  Tatsuo TOIDA, Katsumi UCHIDA, Tadahiro ISHII and Hirofumi YAJIMA

• Extraction of Chemical Parameters Characterizing the Upper, the Middle and Lower Stream by CQSAR
  - The Case of the Tamagawa River, Tokyo, Japan -

  Junko KAMBE, Yuan YAN, Umpei NAGASHIMA and Tomoo AOYAMA

• Stochastic Prediction of Peptide Secondary Structure Based on Molecular Dynamics Simulation Performed for Nano-second-Effectiveness of the %stickiness Approach Represented by Triangle Map Mode.

  Shinichi MURAYAMA, Chuya YOSHIDA, Takashi AOYAMA, Satoshi URATA and Koichi NISHIGAKI

• Study of the Effect of Pressure Splitting on the Mean Absorption Intensity using an NDIR Gas Analyzer.

  Tsutomu YONEZAWA

• Development of a Perfume Emission System via Internet.

  Tadayosi YOSHIMURA and Yoshitaka SAKASHITA