D.  Mishra and Pal, S., ?Ionization potential and structure relaxation of adenine, thymine, guanine and cytosine bases and their base pairs: a quantification of reactive sites?, Journal of Molecular Structure-Theochem, vol. 902, no. 1-3, pp. 96-102, 2009.

H. Sekhar De, Krishnamurty, S., Mishra, D., and Pal, S., ?Finite temperature behavior of gas phase neutral Au-n (3 <= n <= 10) clusters: a first principles investigation?, Journal of Physical Chemistry C, vol. 115, no. 35, pp. 17278-17285, 2011.

D.  Mishra, Pal, S., and Krishnamurty, S., ?Understanding the molecular conformations of Na-dimyristoylphosphatidylglycerol (DMPG) using DFT-based method?, Molecular Simulation, vol. 37, no. 11, pp. 953-963, 2011.

G.  Priya, Kotmale, A. S., Gawade, R. L., Mishra, D., Pal, S., Puranik, V. G., Rajamohanan, P. R., and Sanjayan, G. J., ?Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding?, Chemical Communications, vol. 48, no. 71, pp. 8922-8924, 2012.

B. S.  Kulkarni, Mishra, D., and Pal, S., ?Role of substituents on the reactivity and electron density profile of diimine ligands: a density functional theory based study?, Journal of Chemical Sciences, vol. 125, no. 5, pp. 1247-1258, 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.

M. K.  Munshi, Gade, S. M., Mane, M. V., Mishra, D., Pal, S., Vanka, K., Rane, V. H., and Kelkar, A. A., ?1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis?, Journal of Molecular Catalysis A-Chemical, vol. 391, pp. 144-149, 2014.