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- W2347826274 abstract "On the elemental electronegative,bondid electron number and PZ electron number of atoms,one new molecular topological index(4 X)is developed for research on the PKa values for 19 substituted phenols and 30 substitnted benzene carbonic acids,and the PKb values for 22 substituted phenylamines in this paper.With it,the linear relationship between the PKa values of substituted phenols and the molecular topological index(4 X)are obtained,ie.PKa=14.1127-1.6375 4 X,r=-0.9649;the linear relationship between the PKb values of substituted benzenne and the molecular topological index(4X) are obtained,i.e.PKb=4.5524+2.08464 X,r=0.9589.It is concluded that the indexes have good structure selectivity and property relativity.It can be extended to predict the PKa values of other substituted phenols and the PKb values of other substituted benzenne amines." @default.
- W2347826274 created "2016-06-24" @default.
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- W2347826274 date "2006-01-01" @default.
- W2347826274 modified "2023-09-26" @default.
- W2347826274 title "Molecular topological research on the PKa values for substituted benzene carbonic acids and substituted phenols, and the PKb values for substituted phenylamines" @default.
- W2347826274 hasPublicationYear "2006" @default.
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