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用多元回归方法对 59个直链或支链烷烃化合物进行碳 - 1 3NMR波谱模拟。在这个实验中提取了分子连接性指数和几何参数 ,取得了很好的效果。
Fifty-five linear or branched alkane compounds were subjected to carbon-13 NMR spectroscopy using multiple regression. In this experiment, the molecular connectivity index and geometric parameters were extracted, and achieved good results.