title: The Variational Structure of Gradient Extremals.
abstract: The gradient extremals can be taken as a representation of reaction paths. We prove that this type of curve possesses a variational nature. We report the conditions such that these curves have the character of a minimal curve. Finally we discuss the relations between the points of these curves being turning points with respect to other special points of the potential energy surface, like the valley-ridge inflection points.
authors.affiliation: Institut de Química Teòrica i Computacional, Universitat de Barcelona (IQTCUB) , C/Martí i Franquès, 1, 08028 Barcelona, Catalunya, Spain.
authors.forename: Josep Maria
authors.initials: JM
authors.lastname: Bofill
authors.affiliation: Mathematisches Institut, Universität Leipzig , PF 100920, D-04009 Leipzig, Germany.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Quapp
authors.affiliation: Institut de Química Teòrica i Computacional, Universitat de Barcelona (IQTCUB) , C/Martí i Franquès, 1, 08028 Barcelona, Catalunya, Spain.
authors.forename: Marc
authors.initials: M
authors.lastname: Caballero