我们在B3LYP/6-31 ++G(d,p)计算级别下计算了[M(H2O)6]3+(M=Sc～Co)、[Co(Ⅲ)L6](L=F-、H2O、NH3、CN-),以及基于α-Al2O3晶体结构搭......

In order to investigate the effect of Si addition in zirconium alloy,two kinds of alloy with and without Si are prepared......