The Journal of Computer Chemistry, Japan, Vol 8, No. 3 (2009)

General Paper

• An Extended van der Waals Equation of State Based on Molecular Dynamics Simulation

  Yosuke KATAOKA and Yuri YAMADA

• Regiospecific Addition of La@C82 with Alkylidene, Alkyl Radical and Carbanion: Prediction of Regioisomers by Using "Paired Interacting Orbitals" (PIO) Analysis

  Akinobu SHIGA, Midori O. ISHITSUKA and Takeshi AKASAKA

• Development of a New Molecular Visualization Package: Makiko

  Mitsuo SHOJI and Makiko SHOJI

• Basis Quantum Monte Carlo Calculation of 2-Fermion System in a 1 or 3-Dimensional Harmonic Potential.

  Toru YAGI and Umpei NAGASHIMA