Further in this section, molecules with favourable spectral characteristics are recognized using the basic TD-DFT method. The electronic states with high transition probabilities are then studied and optimized using the EOM-CCSD method as mentioned in Section 2.2. Upon the determination of the spectral properties and thermochemitry, equilibrium mole fractions of these species at conditions of the boundary layer are estimated using the thermochemical library, PLATO. This estimation is necessary to understand the potential impact these carbon clusters can have on the radiation due to electronic state transitions in atomic species found in the shock layer during hypersonic reentry.