New Fukui, dual and hyper-dual kernels as bond reactivity descriptors Academic Article uri icon

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abstract

  • Three new bond reactivity indicators are presented within the framework of the temperature dependent chemical reactivity theory.

authors

  • Franco-Pérez, Marco
  • Polanco-Ramírez, Carlos-A
  • Ayers, Paul
  • Gázquez, José L
  • Vela, Alberto

publication date

  • June 21, 2017