Abstract
Reaction paths are a widely used concept in theoretical chemistry. It is evident that the invariance problem, which was mathematically solved a long time ago (cf. the report given in Ref. [1]), penetrates again and again the discussions in this field (see Ref. [2]). We give both the non-invariant and the invariant definitions with respect to the choice of the particular coordinate system for two important kinds of chemical reaction pathways (RP), namely, steepest descent lines (SDP) and gradient extremal (GE) curves.
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Quapp, W. (1995). The Invariance of the Reaction Path Description in Any Coordinate System. In: Heidrich, D. (eds) The Reaction Path in Chemistry: Current Approaches and Perspectives. Understanding Chemical Reactivity, vol 16. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-8539-2_5
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DOI: https://doi.org/10.1007/978-94-015-8539-2_5
Publisher Name: Springer, Dordrecht
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