“…In the literature, there exist also various studies on the hydrolysis of aluminium, in which techniques such as 27 Al NMR spectroscopy [16][17][18][19][20][21][22][23], mass spectrometry [14], Raman spectroscopy [24], IR spectroscopy [17,25], UV spectrophotometry [3,22,26], atomic absorption spectrometry [21,27], and coagulation processes [28] have been used. On the other hand, although some static calculations conducted on relatively small clusters are present in the literature showing the molecular structures of some of the polynuclear hydroxo complexes [17,24,[29][30][31], to the best of our knowledge, no extensive ab initio molecular dynamics (AIMD) simulations explicitly including the contribution of the bulk water solvent have been reported so far.…”