Two-dimensional(2D)layered perovskites have emerged as potential alternates to traditional three-dimensional(3D)analogs ......

采用ＰＭ３系列方法对新合成的１０个不对称取代方酸内Ｗｅｎｇ盐进行了系统研究。计算得到它们的优化几何构型，电荷分布，ＩＲ谱及ＵＶ谱，并对光谱进行了理论确认......