Abstract: Quantum chemistry can solve problems which are not settled with conventional theory and method.The fundamental theory of quantum chemistry and SCC-DV-Xα method are introduced.The advances of quantum chemistry in cement chemistry field in recent
Abstract: Quantum chemistry can solve problems which are not settled with conventional theory and method.The fundamental theory of quantum chemistry and SCC-DV-Xα method are introduced.The advances of quantum chemistry in cement chemistry field in recent
文摘:量子化学能解决许多用传统理论和方法所不能解决的材料科学问题，本文介绍了计算量子化学的基本理论及SCC-DV-Xα方法，综述了近三年来量子化学在水泥化学领域应用的研究进展。