Accurate modeling of inter- and intra-molecular interactions in 1,4-dihydroxynaphthalene in the 0.5-6 terahertz region

Semi-empirical calculations successfully predicted the terahertz (THz) absorption spectrum associated with intra- and intermolecular interactions in 1,4-dihydroxynaphthalene. Results are in excellent agreement with spectroscopy data in the 0.5-6 THz region using GaP wave THz source.