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.

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.

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.