Dipole moments were calculated for H2O-Fe=O, porphyrin and TLN substrate. Then interaction/stabilization energy were calculated using the following relationship: Here, ΔE is stabilization energy in kcal/mol, |𝐹𝐹 ⃗ | is the LEF intensity in V/Å, the |𝜇𝜇 ⃗| is the magnitude of dipole moment in Debye and θ is the angle between LEF and dipole moment vectors. For electric field and dipole moments, GAUSSIAN convention is used. Furthermore, QM-only single point calculations were performed with and without oriented external electric fields (OEEFs) for the stripped RC and TS geometries. For frequency calculations, we used the hybrid UB3LYP/def2-SVP level of theory and single-point calculations at a higher basis set, def2-TZVP. These effects were studied using Gaussian09 program.