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Issue DateTitleAuthor(s)
1-Jan-2010Reactivity of the beta-AlF3(100) surface: defects, fluorine mobility and catalysis of the CCl2F2 dismutation reactionBailey, CL; Mukhopadhyay, S; Wander, A; Searle, BG; Carr, JM, et al
31-Dec-2007Ab Initio Surface Thermodynamics in Multi Component EnvironmentBailey, CL; Wander, A; Mukhopadhyay, S; Searle, BG; Harrison, NM
15-Nov-1996Structure of the alpha-Cr2O3 (0001) surface: An ab initio total-energy studyRehbein, C; Harrison, NM; Wander, A
14-Jun-2008Characterization of Lewis acid sites on the (100) surface of beta-AlF(3): Ab initio calculations of NH(3) adsorptionBailey, CL; Wander, A; Mukhopadhyay, S; Searle, BG; Harrison, NM
21-Apr-2010Implementation of Nudged Elastic Band in CRYSTALBailey, CL; Wander, A; Searle, BG; Harrison, NM
-The DL EXCURV PackageTomic, S; Searle, BG; Wander, A; Harrison, NM; Dent, A, et al
15-Apr-2010Geometric structure of TiO2(110)(1X1): Confirming experimental conclusionsBusayaporn, W; Torrelles, X; Wander, A; Tomic, S; Ernst, A, et al