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.

S.  Das, Pal, S., and Krishnamurty, S., ?Dinitrogen activation by silicon and phosphorus doped aluminum clusters?, Journal of Physical Chemistry C, vol. 118, no. 34, pp. 19869-19878, 2014.

T.  Sengupta, Das, S., and Pal, S., ?Oxidative addition of the C-I bond on aluminum nanoclusters?, Nanoscale, vol. 7, no. 28, pp. 12109-12125, 2015.

R. L.  Gawade, Chakravarty, D. K., Kotmale, A., Sangtani, E., Joshi, P. V., Ahmed, A., Mane, M. V., Das, S., Vanka, K., Rajamohanan, P. R., Puranik, V. G., and Gonnade, R. G., ?Additive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly?, Crystal Growth & Design, vol. 16, no. 4, pp. 2416-2428, 2016.

S.  Das, Sengupta, T., Dutta, A. Kumar, and Pal, S., ?Electron detachment and subsequent structural changes of water clusters?, Journal of Physical Chemistry A, vol. 120, no. 7, pp. 1065-1073, 2016.

T.  Sengupta, Das, S., and Pal, S., ?Transition metal doped aluminum clusters: an account of spin?, Journal of Physical Chemistry C, vol. 120, no. 18, pp. 10027-10040, 2016.