Scaling properties of information-theoretic quantities in density functional reactivity theory Academic Article uri icon

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abstract

  • A number of strong linear correlations between information-theoretic quantities and electron populations for atoms, molecules, and atoms-in-molecules have been disclosed.

authors

  • Rong, Chunying
  • Lu, Tian
  • Ayers, Paul
  • Chattaraj, Pratim K
  • Liu, Shubin

publication date

  • February 21, 2015