The Journal of Computer Chemistry, Japan, Vol 8, No. 2 (2009)
Contents
General Papers
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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
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Theoretical Studies of the b-Hydrogen Elimination from p-Allyl Palladium Complexes
Masato OSHIMA and Noriko INOUE
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Data Estimation and Distribution Map Using CQSAR: Compensation Quantitative Structure-Activity Relationships
-A Case of Seoul, Korea, on April 13, 14, 2008-
Junko KAMBE, Eiko NAKAYAMA, Umpei NAGASHIMA and Tomoo AOYAMA
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Several Molecular Orbital Computations for a Dinuclear Nickel(II) Complex
Hiroshi SAKIYAMA, Masato OSHIMA, Satoshi SUZUKI and Yuzo NISHIDA
Technical Paper
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