For a slab ( 1 → s ) that is partially transparent, i.e., at n s d s ≫ λ and n s ≫ κ s , processing two terms in Equation (A11) due to the prescription of Equation (A10) yields the apparent transmittance and reflectance as follows: T a = 1 − R s 2 e − α...
To obtain further insight into the reasons for the differences of the (hyper)polarizabilities for the different isomers, we computed a measure for the conjugation along the quasilinear conjugated [-C = C-]n chain, following the prescription of the Harmonic Oscillator Model of Aromaticity (HOMA)...