相对论效应对AH2化合物(A=Be, Mg, Ca, Sr, Ba)构型的影响规律探讨
李婷婷,许兵,俞文杰,王雪峰

Discussion on the Relativistic Effects on Structures of AH2 (A=Be, Mg, Ca, Sr, Ba) Compounds
Ting-Ting LI,Bing XU,Wen-Jie YU,Xue-Feng WANG
图1 B3LYP优化所得AH2的最稳定结构