The Journal of Computer Chemistry, Japan, Vol. 3, No. 1 (2004)

General Papers

• Development of Integral Transformation Modules for Correlated Calculations

  Yuji MOCHIZUKI and Umpei NAGASHIMA

• Construction of Layered Structure of Rigid-Rod Polyesters with Flexible Side Chains by a Molecular Dynamics Simulation

  Mitsuhiro FUKUDA, Yoshinori TAMAI and Satoru KUWAJIMA

• Origin of Low-Energy Peaks in the Ti-K XANES Spectra of SrTiO₃ and CaTiO₃

  Masaki FUJITA, Hirohide NAKAMATSU, Sunao SUGIHARA, Jun-ichi AIHARA and Rika SEKINE

• The Model of a Supermolecule with Dodecahedral Symmetry

  Masahiko SUENAGA

• Development and Testing of Chemistry Education Resources for a Mobile Phone

  Tadayosi YOSHIMURA, Yuusuke NAKAYAMA and Akinori UEJIMA