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Elsevier, Tetrahedron Letters, 45(44), p. 8233-8236

DOI: 10.1016/j.tetlet.2003.09.074

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QRC: A rapid method for connecting transition structures to reactants in the computational analysis of organic reactivity

Journal article published in 2003 by Jonathan M. Goodman ORCID, Marı́a A. Silva
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

A new procedure, QRC calculation, is presented which provides useful information for analysing organic reactions and links transition structures to starting materials and products. QRC calculations are an alternative to computationally demanding IRC calculations, which find more information than is needed for this analysis.