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- W2374429194 abstract "To understand the orientation effect of polychloroaniline on the electrophilic substitution,the charges of carbon atoms in the benzene ring and the energy of σ complexes formed in the electrophilic substitution were computed by B3LYP,at 6-311G** level,according to density functional theory(DFT).Results showed that ortho-and para-chlorines were preferentially substituted instead of meta-chlorines,because the charges of ortho-and para-carbon atoms,the energy of ortho-and para-σ complexes were less than that of meta,and 3,5-dichloroaniline as desired product could be prepared." @default.
- W2374429194 created "2016-06-24" @default.
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- W2374429194 date "2010-01-01" @default.
- W2374429194 modified "2023-09-28" @default.
- W2374429194 title "Calculations of density functional theory based on orientation effect of polychloroaniline on electrophilic substitution" @default.
- W2374429194 hasPublicationYear "2010" @default.
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