The chemical networks and scripts for: The impact of hydrogen atom tunneling on aromatic chemistry in TMC-1

Chemical Networks: Network1.in is the chemical network used in the Byrne et al. (2024) sensitivity analysis, and is described as Network 1 in the text of this work. Network2.in is the same chemical network as Network1.in, with the difference of a lessened rate coefficient (9 $\times$ 10$^{-14}$ cm$^{3}$ s$^{-1}$) for the reaction of:H$_{2}$ + C$_{6}$H$_{5}^{+}$ $\rightarrow$ C$_{6}$H$_{7}^{+}$ + h$\nu$,and is described as Network 2 in the text of this work. Network3.in is the same chemical network as Network1.in, but with the following reactions removed: C$_{2}$H$_{2}$ + C$_{4}$H$_{3}^{+}$ $\rightarrow$ c-C$_{6}$H$_{5}^{+}$ + h$\nu$ C$_{6}$H$_{7}^{+}$ + e$^{-}$ $\rightarrow$ C$_{6}$H$_{2}$ + 2H$_{2}$ + HC$_{5}$H$_{2}^{+}$ + CH$_{4}$ $\rightarrow$ c-C$_{6}$H$_{5}^{+}$ + H Network4.in is the same chemical network as Network1.in, but with the MESMER calculated rate coefficients included inplace of those from kida.uva.2024, for the four following reactions (Reactions 2-5 in the text of this work): C$_{2}$H + H$_{2}$ $\rightarrow$ C$_{2}$H$_{2}$ + H OH + H$_{2}$ $\rightarrow$ H$_{2}$O + HCN + H$_{2}$ $\rightarrow$ HCN + H NH$_{2}$ + H$_{2}$ $\rightarrow$ NH$_{3}$ + H MESMER Scripts: The files: C2H+H2_MESMER.xml, CN+H2_MESMER.xml, NH2+H2_MESMER.xml, and OH+H2_MESMER.xml are example MESMER files for the MESMER calculations we conducted within our study. KiSThelP Scripts: The folders: C2H_H2, CN_H2, NH2_H2, and OH_H2 found within the KiSThelP.zip file all contain the KiSThelP input scripts for the two reactants and transition states for each of the four H$_{2}$ reactions shown above.