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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
20-Mar-2013Electronic structures and phonon free energies of LaCoO3 using hybrid-exchange density functional theoryMukhopadhyay, S; Finnis, MW; Harrison, NM
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
1-Nov-2012Influence of background carriers on magnetic properties of Mn-doped dilute magnetic SiMukhopadhyay, S; Harrison, NM