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Pleading for a Dual Molecular-Orbital/Valence-Bond Culture.

Philippe C HibertyBenoît Braïda
Published in: Angewandte Chemie (International ed. in English) (2018)
Electron pairs through the looking glass might well discover that they can show two faces, one delocalized or the other localized, and that both are perfectly correct. Going back and forth between these two representations, according to which one is the most relevant and insightful for the case at hand, is easy and essential to get a complete understanding of electronic structure.
Keyphrases
  • working memory
  • electron transfer
  • single molecule
  • solar cells
  • electron microscopy