Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (11): 1704.
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MA Chen-Sheng, MA Li, YANG Zhong-Zhi
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Abstract: For dissociative reaction system of CH4/Ni7, cluster model is employed for MS-Xα-SCFstudy of its transitional state electronic structure, the characteristics of chemisorption bonding and inter-action picture have been drawn, and the results obtained are in agreement with those of expriments.
Key words: CH4/Ni(Ⅲ) chemisorption system, Cluster model, CH4/Ni7, MS-Xα-SCF method
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MA Chen-Sheng, MA Li, YANG Zhong-Zhi. MS-Xα-SCF Study on Transitional State of Dissociative Chemisorptive Reaction System CH4/Ni (Ⅲ)[J]. Chem. J. Chinese Universities, 1994, 15(11): 1704.
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