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T.  Kelkar, Pal, S., and Kanhere, D. G., ?Density functional investigations of electronics structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride?, ChemPhysChem , vol. 9, no. 6, pp. 928-934, 2008.\par \par T.  Kelkar, Kanhere, D. G., and Pal, S., ?First principles calculations of thermal, equations of state and thermodynamical properties of MgH2 at finite temperatures?, Computational Materials Science, vol. 42, no. 3, pp. 510-516, 2008.\par \par T.  Kelkar and Pal, S., ?Computational study of electronic structure, thermodynamics and kinetics of hydrogen desorption from Al- and Si-doped alpha-, gamma-, and beta-MgH2?, Journal of Materials Chemistry, vol. 19, no. 25, pp. 4348-4355, 2009.\par \par }