老师太serious, 晶体解析求助?老师水平不用怀疑,请看老师下面一段话: Me: I ues SADI to solve the first problem (bond distances for all N-C bonds in Et4N(+) should be the same. ANSWER: the problem is that as you did it now ... 把N1进行part -1,位置改变0.0001精修就可以,但还是需要sadi,这个位置靠近特殊位置,还是需要sadi,你可以试试,估计他会更加满意查看更多