MCH 2(OH) and CH 3OM(M=-, Li, Na) were calculated by means of ab initio method at the MP2/631+G* level. The results sh......

用密度泛函理论,对类卡宾CBr3Li进行了研究.优化得到4种不同的平衡构型及其相互转化的过渡态,并对过渡态进行了振动分析,确认它们......