“…c-Al 2 O 3 , [18,19] TiO 2 -anatase [20,21] and MgO [22] have recently been studied at the same level of theory (Density Functional Theory, periodic boundary conditions and PW91 functional). The models proposed have been extensively compared to experiments (TPD, [22,23] IR, [19,[24][25][26][27] 1 H NMR, [28] photoluminescence [29,30]) and used to describe the interaction of the support with active phases (metals, [12,13,31,32] sulfides, [32][33][34] organometallic complexes [35]). …”