Reply to the ‘Comment on “Revisiting the definition of local hardness and hardness kernel”’ by C. Morell, F. Guégan, W. Lamine, and H. Chermette, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04100D Journal Articles uri icon

  •  
  • Overview
  •  
  • Research
  •  
  • Identity
  •  
  • Additional Document Info
  •  
  • View All
  •  

abstract

  • Starting from the chain rule for functional derivatives we develop a general procedure to define the local and non-local counterparts of a global reactivity indicator.

authors

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

publication date

  • March 28, 2018