This repository contains the data files used in the publication titled "Unraveling the effect of reagent vibrational excitation on the scattering mechanism of the benchmark H + H2 → H2 + H hydrogen exchange reaction in coupled 12E′ ground electronic manifold". The data represent those used in the figures of main article and the electronic supplementary information. All the data are provided in ASCII text format. Each directory in this repository contain data used in a specific figure and are named according the figure number.
****** Important ***************
The user may encounter the keywords "UC" and "BD" in the name of some data files. Here UC refers to uncoupled (single ground adiabatic state) and BD refers to coupled (BKMP2+DMBE) state situations.
The User may find the following zip files in this repository.
- Main.zip
- ESI.zip