The intricate molecular structure of JP-10 necessitates a deeper understanding of its chemical behaviour and reaction mechanisms, particularly in the context of electronic structure, combustion, thermal decomposition, and pyrolysis. Exo-TCD, the primary component of JP-10, has two significant conformations: exo-chair and exo-boat. These conformations differ in their stability and reactivity, which, in turn, affect JP-10's ignition and combustion properties.