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Based on the nature of the carbon-halogen bond to be broken and the halogen atoms to be replaced in photohydrolysis reactions, the method of factor analysis and cluster analysis was used to group 45 substituted aromatic halides into three clusters. 20 compounds are grouped in Cluster A, which are characterized as substituted bromobenzenes and iodobenzenes. 17 compounds belong to Cluster B, which...
Based on the descriptors computed by the PM3 hamiltonian and the application of factor analysis and multiple regression analysis, several Quantitative Structure-Property Relationship (QSPR) equations for disappearance quantum yields of 45 substituted halogen compounds were obtained. After the exclusion of the outliers, the remaining two QSPR equations can be used to predict disappearance quantum...
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