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The reaction Ca + HCl→CaCl + H is a typical reaction involves metal atom and hydrogen halides [1-3].It is believed that such reactions are dominated by the “harpoon” mechanism [2,3].The van der Waals complex of calcium with hydrogen chloride,Ca-HCl,is well known as a precursor of the harpoon-type reaction Ca + HCl [3].The formation of the complex Ca-HCl may be due to the deep potential well in the van der Waals region.Nevertheless,along its reaction path two potential barriers are also available.Those ups and downs on the potential energy surface complicate the reaction extraordinarily.