The overall reaction network that was generated by YARP for ethylene oligomerization on silicasupported single site Ga 3+ is shown in Figure . Network exploration was initialized with the Gaethyl species (node 0 in Fig. ), which has been proposed as a key intermediate in Cossee-Arlman ethylene oligomerization cycle. After a single-step of reaction enumeration and TS characterization, Ga-n-butyl, Ga-vinyl + ethane, and Ga-hydride + 1-butene, were identified as intended products of a reactions between Ga-ethyl and ethylene. The free energies of activation (∆G † ) of forming Ga-n-butyl, Ga-vinyl, and Ga-hydride are 44.1, 59.8, and 93.5 kcal/mol, respectively.