densityfunctionalcalculation相关论文
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Using the first-principles molecular dynamics simulations,we demonstrate that the penetration of lithium atoms into a si......
Theoretical Study of Flue Gas Constituents and Mercury Species Competitive Adsorption on CaO surface
CaO,well-known as the desulphurizer; has been demonstrated to effective in capturing oxidized mercury(HgCl2,HgO,HgCl......
