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- W2386431395 abstract "Correlation studies on the structures and physico-chemical properties of molecules is one of the popular research fields in recent years.Topological index method is getting more and more significant and useful among these researches.A quantitative mathematics model for estimating boiling points of alkane Oxo-derivatives was established by using molecule parameters such as main atomic numbers(N), carbon atomic numbers on the backbone chain(N′),relative electrogrativity(X_r),substituting parameter (P)in this paper.The predicted values were in good agreement with those of the literature.All the correlation coefficients R were more than 0.9950,the average absolute deviation was smaller than 3℃, and the mean relative error was smaller than 1.5 % for 377 compounds.The calculated results indicated that this method was simple and valid for QSPR studies with advantages of easy computation and clear physical significance." @default.
- W2386431395 created "2016-06-24" @default.
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- W2386431395 date "2009-01-01" @default.
- W2386431395 modified "2023-09-25" @default.
- W2386431395 title "QSPR studies on boiling points and molecular parameters of alkane oxo-derivatives" @default.
- W2386431395 hasPublicationYear "2009" @default.
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