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催化过程的机理研究 含过渡金属体系的分子动力学模拟

1、催化过程的机理研究 2、含过渡金属体系的分子动力学模拟

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QI Zhong-Nan,ZHANG Chang-Qiao,WANG Ruo-Xi,lIU Cheng-Bu,CHEN Zheng-Long, "Investigation of Microstructures and Anti-corrosion Properties of Al-Zn Alloys" , Chinese Journal of Chemistry, 2005,23(9), 1182-1186 QI Zhongnan, WU Jian, LIU Chengbu*, WANG Ruoxi & SUN Youmin,"Theoretical study on magneto-structural correlation of trinuclear copper(Ⅱ) complex with the hydroxo bridge and bidentate syn-syn carboxylate group", Chinese Science Bulletin,2006,51(12),1421-1425 Li-Li Wang, You-Min Sun, Zhong-Nan Qi, and Cheng-Bu Liu ,Magnetic Interactions in Two Heterobridged Dinuclear Copper(II) Complexes: Orbital Complementarity or Countercomplementarity? J. Phys. Chem. A 2008, 112, 8418–8422. YUN LI, HONGQI AI, ZHONGNAN QI, WEI HE, LIANG ZHANG Stability Analysis of the Neutral Noble Gas Molecules FNgX and Their Anions FNgX_ (Ng_He, Ar, Kr; X_O, S) International Journal of Quantum Chemistry, Vol 109, 782–789.