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2013
D. Mishra, Das, S., Krishnamurthy, S., and Pal, S., “Understanding the orientation of water molecules around the phosphate and attached functional groups in a phospholipid molecule: a DFT-based study”, Molecular Simulation, vol. 39, no. 12, pp. 937-955, 2013.
S. Das, Pal, S., and Krishnamurty, S., “Understanding the site selectivity in small-sized neutral and charged AI(n) (4 <= n <= 7) clusters using density functional theory based reactivity descriptors: a validation study on water molecule adsorption”, Journal of Physical Chemistry A, vol. 117, no. 36, pp. 8691-8702, 2013.