Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective Academic Article uri icon

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abstract

  • Strong linear correlations were unveiled between barrier heights of bimolecular nucleophilic substitution (SN2) reactions and quantities from the information-theoretic approach.

authors

  • Wu, Zemin
  • Rong, Chunying
  • Lu, Tian
  • Ayers, Paul
  • Liu, Shubin

publication date

  • October 28, 2015