Variational transition-state theory and semiclassical tunnelling calculations with interpolated corrections: a new approach to interfacing electronic structure theory and dynamics for organic reactions

  • Wei-Ping Hu, Yi-Ping Liu, Donald G. Truhlar
  • Journal of the Chemical Society Faraday Transactions, January 1994, Royal Society of Chemistry
  • DOI: 10.1039/ft9949001715

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http://dx.doi.org/10.1039/ft9949001715

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