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Issue DateTitleAuthor(s)
22-Jan-2002Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001)Gomes, JRB; Illas, F; Hernandez, NC; Sanz, JF; Wander, A, et al
15-Jun-2002Density-functional simulations of lithium intercalation in rutileKoudriachova, MV; Harrison, NM; de Leeuw, SW
1-Jun-2002First-principles calculations of the phase stability of TiO2Muscat, J; Swamy, V; Harrison, NM