The Journal of Computer Chemistry, Japan, Vol. 7, No. 4

General Papers

• Conformational Analysis of Diastereomeric a-Amino Nitriles

  Rumiko SAKURAI, Akira UCHIDA, Tetsutaro HATTORI and Masanori YAMAURA

• Liquid Structure and the Ion-Ion Interactions of Ethylammonium Nitrate Ionic Liquid Studied by Large Angle X-Ray Scattering and Molecular Dynamics Simulations

  Yasuhiro UMEBAYASHI, Wan-Lin CHUNG, Takushi MITSUGI, Shuhei FUKUDA, Munetaka TAKEUCHI, Kenta FUJII, Toshiyuki TAKAMUKU, Ryo KANZAKI and Shin-ichi ISHIGURO

• Molecular Simulation of Enantiodifferentiating Photoisomerization of Cyclooctene by Chiral Sensitizers

  Hiromitsu HASHIMOTO, Tetsuro SHIMO, Mikito ATSUCHI, Masaru MITSUSHIO and Kenichi SOMEKAWA

• Computational Chemical Analysis of Firefly Luciferase Catalyzed Enantioselective Thioester Formation toward Ketoprofen

  Kazuhiro SASA, Dai-Ichiro KATO, Takeshi UNO, Haruhisa HAYASHI and Hidehiko NAKANO

• Conformational Polymorphism Analysis of Aspirin Crystal with a Crystal Calculation Method

  Shigeaki OBATA and Hitoshi GOTO

Note

• A Density Functional Study on Reaction Center Models of Horse Heart Carbonmonoxy Myoglobin
  - Effect of Distal Histidine to the Electronic States -

  Kouji CHIBA, Toshiyuki HIRANO, Fumitoshi SATO and Masahiro OKAMOTO