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The Application of SCC-DV-X_a Computational Method of Quantum Chemistry in Cement Chemistry
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作者 王志 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2001年第3期6-11,共6页
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 co... 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 activity of 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. 展开更多
关键词 quantum chemistry CEMENT calculated results hydratian property
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