The Journal of Computer Chemistry, Japan, Vol 8, No. 2

(日本コンピュータ化学会論文誌)

研究論文

• Molecular Structure, Vibrational Spectra and Potential Energy Distribution of Colchicine Using ab Initio and Density Functional Theory

  Shamoon Ahmad SIDDIQUI, Apoorva DWIVEDI, Anoop PANDEY, P. K. SINGH, Tanveer HASAN, Sudha JAIN and Neeraj MISRA

• Theoretical Studies of the b-Hydrogen Elimination from p-Allyl Palladium Complexes

  Masato OSHIMA* and Noriko INOUE

• 欠測データ集合を扱う神経回路網法CQSAR：Compensation Quantitative Structure-Activity Relationshipsを用いた環境汚染物質濃度推定と分布図
  -韓国ソウル市の場合-

  神部 順子, 中山 栄子, 長嶋 雲兵, 青山 智夫

• Several Molecular Orbital Computations for a Dinuclear Nickel(II) Complex

  Hiroshi SAKIYAMA, Masato OSHIMA, Satoshi SUZUKI and Yuzo NISHIDA

技術論文

• Visualization Resources: To Better Utilize Lab-Time and to Enhance Teaching Introductory Chemistry Laboratory

  Tawfik A. SALEH