Nevertheless, due to the uncertainties regarding the microstructure, the interchain charge transport pathways have not been elucidated. MD simulations have traditionally been the method of choice for building models of the microstructure of polymers to be compared with the available experimental evidence . For IDT-BT there is no consensus yet on the microscopic model with a paper predicting a planar conjugated backbone (IDT-BT torsional angles ΦDT-BT of 5.2 ± 4.0 °)4 and another suggesting more twisted chain structure (ΦIDT-BT = 25 ± 7-16 °)11 , a very critical distance as the planarity of the backbone was originally advanced as a key to explain the extraordinary properties of IDTBT in terms of a "ribbon-like" structure.