Theoretical study of simple electron transfer reactions involving oxo radicals and anions

Andrzej Les, Ludwik Adamowicz

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

The heat of electron transfer reactions involving oxo radicals and anions is calculated using the first-order correlation orbitals and the coupled cluster method. Despite systematic errors which remain in the theoretical electron affinities versus the experimental affinities, the agreement in the electron transfer energy is much more plausible.

Original languageEnglish (US)
Pages (from-to)187-191
Number of pages5
JournalChemical Physics Letters
Volume175
Issue number3
DOIs
StatePublished - Dec 4 1990

ASJC Scopus subject areas

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

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