On the condensed Fukui function

P. Fuentealba, P. Pérez, R. Contreras

Research output: Contribution to journalArticlepeer-review

293 Citations (Scopus)

Abstract

Proposed methods for evaluating the condensed Fukui function are compared neglecting the relaxation effects. It signs and arguments for a positive definite condensed Fukui function are discussed. Numerical calculations in two series of molecules are presented.

Original languageEnglish
Pages (from-to)2544-2551
Number of pages8
JournalJournal of Chemical Physics
Volume113
Issue number7
DOIs
Publication statusPublished - 15 Aug 2000

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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