biblio

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2007
I. Heidari, Pal, S., Pujari, B. S., and Kanhere, D. G., “Electronic structure of spherical quantum dots using coupled cluster method”, Journal of Chemical Physics, vol. 127, no. 11, p. 114708, 2007.
2008
S. Shetty, Kulkarni, B. S., Kanhere, D. G., Goursot, A., and Pal, S., “Comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory”, Journal of Physical Chemistry B, vol. 112, no. 9, pp. 2573-2579, 2008.
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.
2011
I. Heidari, De, S., Ghazi, S. M., Goedecker, S., and Kanhere, D. G., “Growth and structural properties of Mg-N (N=10-56) clusters: density functional theory study”, Journal of Physical Chemistry A, vol. 115, no. 44, pp. 12307-12314, 2011.
2013
I. Heidari, Vaval, N., Pal, S., and Kanhere, D. G., “Polarizability of few electron quantum dots: extended coupled-cluster response approach”, Chemical Physics Letters, vol. 555, pp. 263-267, 2013.