人工神经网络用于含茂基苯并三氮唑基镧系金属有机配合物分解温度的预报  

AN ARTIFICIAL NEURAL NETWORKAPPROACH TO PREDICT DECOMPOSITION TEMPERATURE FOR LANTHANIDE COMPLEXES INVOLVING CYCLOPENTADIENYL AND BENZOTRIAZOLE LIGAND

作　　者：叶信宇[1] 汤新亮[1] 万玉宝[1] 王修然[1] 孙益民[1] 

机构地区：[1]安徽师范大学化学与材料科学学院,安徽芜湖241000

出　　处：《安徽师范大学学报（自然科学版）》2004年第4期422-425,共4页Journal of Anhui Normal University(Natural Science)

基　　金：安徽省自然科学基金(00046509);安徽省教育厅科研基金(20001090);安徽师范大学青年基金资助.

摘　　要：运用人工神经网络(ANNs)对合成的含茂基三氮唑镧系金属有机配合物的分解温度进行了计算预报,ANNs的预报结果与已有数据吻合,没有实验数据的预报结果也显现出良好的规律性,证明神经网络是有机配合物的分解温度预报的一种有效方法.The decomposition temperature for Lanthanide complexes cyclopentadienyl and benzotriazole were calculated and predicted by the model based on ANNs (artificial neural network) method. Comparison was made with experimental data and calculated data. Good agreement was obtained. It is concluded that the application of an artificial neural network is an efficient approach to predict the decomposition temperature for Lanthanide complexes from their micro-parameters.

关 键 词：稀土金属有机化合物 人工神经网络 分解温度 茂基苯并三氮唑基镧系金属有机配合物 

分 类 号：O641.4[理学—物理化学] O657[理学—化学]