biblio

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2009
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.
2011
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.
2012
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.
2013
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.
2014
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.