Some fundamental questions in chemical reactivity

Juan Bertrán

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16 Citations (Scopus)

Abstract

This paper provides an overview of recent progress on some fundamental questions in chemical reactivity. The following issues are emphasized: (1) the choice of electronic structure level for dynamics study; (2) Diels-Alder reactions; (3) combined molecular orbital/molecular mechanics methods; (4) solvent effects; (5) SN2 reactions; (6) dynamics simulations; (7) proton-transfer reactions; and (8) femtochemistry.
Original languageEnglish
Pages (from-to)143-150
JournalTheoretical Chemistry Accounts
Volume99
Issue number3
DOIs
Publication statusPublished - 1 Jan 1998

Keywords

  • Chemical reactivity
  • Diels-Alder reactions
  • Proton-transfer reactions
  • S 2 reactions N

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    Bertrán, J. (1998). Some fundamental questions in chemical reactivity. Theoretical Chemistry Accounts, 99(3), 143-150. https://doi.org/10.1007/s002140050316