First-principles study of molecular hydrogen dissociation on doped Al::12::X (X = B, Al, C, Si, P, Mg, and Ca) clusters - researchr publication

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Lu Wang, Jijun Zhao, Zhen Zhou, S. B. Zhang, Zhongfang Chen. First-principles study of molecular hydrogen dissociation on doped Al::12::X (X = B, Al, C, Si, P, Mg, and Ca) clusters. Journal of Computational Chemistry, 30(15):2509-2514, 2009. [doi]

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