Comment on "Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5" [J. Chem. Phys. 143, 014301 (2015)].
نویسنده
چکیده
We demonstrate by an example that the search for valley-ridge transition (VRT) points used in the commented paper does not always indicate a bifurcation of a reaction path. This was claimed.
منابع مشابه
Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au5.
A global reaction route map is generated for Au5 by the anharmonic downward distortion following method in which 5 minima and 14 transition states (TSs) are located. Through vibrational analyses in the 3N - 7 (N = 5) dimensional space orthogonal to the intrinsic reaction coordinate (IRC), along all the IRCs, four IRCs are found to have valley-ridge transition (VRT) points on the way where a pot...
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 143 17 شماره
صفحات -
تاریخ انتشار 2015