激光染料无辐射过程的分子轨道研究——结构可动性效应的EHMO计算
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摘要: 本文提出了一种估算结构可动性大小的方法,并用Rosamine 4、Rhod-amine 110的EHMO计算数据,具体估算了它们各自的结构可动性大小。结果是:Rosamine4在78°—90°范围可动,Rhodamine 110在82°—90°范围可动,证实了Rosamine 4的结构可动性大于Rhodamine110的结构可动性这一实验事实。Abstract: An estimating method of structure mobility of Rosamine 4 and Rhodamine 110 hasbeen. given. All calculations are based on EHMO method. The results obtained are ratherconsistent with experimental results reported.