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用Visual C++语言设计制作了分析晶体及其表面的BVStr软件.它的最大特点在于以Pauling键价理论为基础,并适用于PC机的Windows操作系统.软件在重点对晶体体相的(包括配位)结构和表面结构进行计算的同时,还计算了它们的键价数据.另外软件还配有二维和三维结构演示功能以及某些结构计算小工具. 因此本软件不仅适合于研究体相及表相结构的稳定性及其演化,同时也可以用于教学.
The BVStr software for the analysis of crystal and its surface is designed by using Visual C ++ language.The most prominent feature of BVStr software is that it is based on Pauling’s key valence theory and is suitable for Windows operating system of PC.The software focuses on the crystal phase Bit) structures and surface structures as well as their key valence data, along with two- and three-dimensional structural demos and some structural computing gadgets, so the software is not only suitable for studying both physical and mental structures The stability and evolution of the surface phase structure can also be used for teaching.