The Journal of Computer Chemistry, Japan, Vol. 2, No. 2 (2003)

General Papers

• Application of Linear Programming Method by Microsoft Excel Solver to Titration Curve Analysis

  Norio YOSHIMURA, Masanori OKAZAKI and Naoya NAKAGAWA

• Ab initio Molecular Orbital Study of Emission Mechanism of 2,6-Bis(quinolinecarboxy)methylpyridine as Fluorescent Chemosensors for Zinc and Cadmium Ions

  Jun KAWAKAMI, Ryo MIYAMOTO, Kimiaki KIMURA, Kazuhiro OBATA, Masahiko NAGAKI and Haruo KITAHARA

• Materials Design of Lithium Ion Rechargeable Battery by Quantum Chemical Calculation
  - Search of Specific Carbon Structure Models -

  Takatoshi MATSUMOTO, Umpei NAGASHIMA, Kazutoshi TANABE and Shuichiro ONO