The Application of SCC-DV-Xa Computational Method of Quantum Chemistry in Cement Chemistry
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition2001年第3期
论文作者：王志
文章页码：6 - 11
摘 要：It has been explored why quantum chemistry is applied to the research field of cement chemistry.The fundamental theory of SCC-DV-Xα computational method of quantum chemistry is synopsized. The results obtained by computational quantum chemistry method in recent years of valence-bond structures and hydration activityof some cement clinker minerals, mechanical strength and stabilization, of some hydrates are summarized and evaluated. Finally the prospects of the future application of quantum chemistry to cement chemistry are depicted.
王志
摘 要：It has been explored why quantum chemistry is applied to the research field of cement chemistry.The fundamental theory of SCC-DV-Xα computational method of quantum chemistry is synopsized. The results obtained by computational quantum chemistry method in recent years of valence-bond structures and hydration activityof some cement clinker minerals, mechanical strength and stabilization, of some hydrates are summarized and evaluated. Finally the prospects of the future application of quantum chemistry to cement chemistry are depicted.
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