Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

Donald G. Truhlar, Bruce C. Garrett

Research output: Chapter in Book/Report/Conference proceedingChapter

18 Scopus citations
Original languageEnglish (US)
Title of host publicationHydrogen-Transfer Reactions
PublisherJohn Wiley and Sons
Pages833-874
Number of pages42
Volume2
ISBN (Print)9783527307777
DOIs
StatePublished - Jul 17 2007

Keywords

  • Condensed-phase reactions
  • Enzyme-catalyzed reactions
  • Examples
  • H-atom transfer in bimolecular gas-phase reactions
  • Hydrogen transfer reactions
  • Incorporation of quantum mechanical effects in VTST
  • Intramolecular hydrogen transfer
  • Liquid-phase catalyzed reactions
  • Special features of hydrogen-transfer reactions
  • Treatment of hydrogen transfer reactions
  • Unimolecular gas-phase reactions
  • Variational transition state theory

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