biblio

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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.
2014
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.
2015
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.
2016
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.