Structural models of activated γ-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations

Structural models of activated γ-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 423, 23 September 2013, Pages 62-72

Ary R. Ferreira, Emine Küçükbenli, Stefano de Gironcoli, Wladmir F. Souza, Sandra Shirley X. Chiaro, Elena Konstantinova, Alexandre A. Leitão,