“…Some of these terphenyl derivatives have quite relevant biological activities, behaving as immune suppressants, antioxidants, neuroprotectives, cytotoxic, anti-thrombosis and anticoagulants [1]. Terphenyls have been the object of extensive research over the years, enhancing their characteristics and applications such as, the ability to form polyphenylene conducting polymers [2][3][4][5], use in organic light emitting diodes (OLEDs), field-effect transistors (FETs) and nonlinear optical devices [6][7][8][9], usage as ultraviolet organic lasers [10], host organic material for dopants [11][12][13][14][15][16], in catalysis [17,18], enzyme simulation [19], metal-organic frameworks [20] and modelling glass forming systems [3,21,22]. These vast applications require the knowledge of the energetics involving these polyphenyl oligomers as well as its relation with their structures.…”