The surface hopping implementation in the SHARC-3.0 code was applied to model the excited state molecular dynamics (ESM D), following photoexcitation of the three isomeric systems. The ORCA program was integrated to calculate the underlying electronic structure during dynamic propagation of gas and solvation models of the TP isomers. Thus, the TDDFT approach, using the previously described configurations, was employed to assess the forces and potential energies. Similarly, the aforementioned CASSCF formalism was implemented (with OpenMolcas) to compare the gas-phase dynamics. The Wigner distribution of the vibrational normal modes in the electronic ground state was used to generate the initial set of geometries and velocities prior to the dynamical modeling. A total of 300 initial conditions were employed for valence excitation, from which the UV-Vis absorption spectra were derived for each isomer across the various models. The discrete excitations were convoluted with a Gaussian function and a full width at half maximum (FWHM) of 0.5 eV to generate the corresponding absorption spectra.