化学
吸附
密度泛函理论
曲面(拓扑)
计算化学
物理化学
几何学
数学
作者
Yan Zhao,Rong Chen,Yue Dong,Wen Li,Shengfu Zhang,Zhongqing Yang
摘要
The adsorption structures, electron distribution, and density of states were calculated to reveal the reaction mechanism of CO 2 -assisted pyro-hydrolysis of CaCl 2 .
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