Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution. - Sergey A. Katsyuba; Tatiana P. Gerasimova; Sebastian Spicher; Fabian Bohle; Stefan Grimme (J. Comput. Chem., 2022)

Structure and intermolecular interactions in ionic liquid 1-ethyl-3-methylimidazolium bromide and its aqueous solutions investigated by vibrational spectroscopy and quantum chemical computations. - Sergey A. Katsyuba; Stefan Grimme (J. Comput. Chem., 2024)