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C. Kumar Choudhury, Carbone, P., and Roy, S., “Scalability of coarse-grained potentials generated from iterative boltzmann inversion forpolymers: case study on polycarbonates”, Macromolecular Theory and Simulations, vol. 25, no. 3, pp. 274-286, 2016.
A. Mallick, Saha, S., Pachfule, P., Roy, S., and Banerjee, R., “Selective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites”, Journal of Materials Chemistry, vol. 20, no. 41, pp. 9073-9080, 2010.
A. R. Mhashal and Roy, S., “Self-assembly of phospholipids on flat supports”, Physical Chemistry Chemical Physics, vol. 17, no. 46, pp. 31152-31160, 2015.
S. Mitra, Kandambeth, S., Biswal, B. P., Khayum, A. M., Choudhury, C. Kumar, Mehta, M. R., Kaur, G., Banerjee, S., Prabhune, A., Verma, S., Roy, S., Kharul, U. K., and Banerjee, R., “Self-exfoliated guanidinium-based ionic covalent organic nanosheets (iCONs)”, Journal of the American Chemical Society, vol. 138, no. 8, pp. 2823-2828, 2017.
S. Pahari and Roy, S., “Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells”, RSC Advances, vol. 6, no. 10, pp. 8211-8221, 2016.
C. Kumar Choudhury and Roy, S., “Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study”, Soft Matter, vol. 9, no. 7, pp. 2269-2281, 2013.
S. Chakraborty and Roy, S., “Structural, dynamical, and thermodynamical properties of carbon nanotube polycarbonate composites: a molecular dynamics study”, Journal of Physical Chemistry B, vol. 116, no. 10, pp. 3083-3091, 2012.
P. Raj Pandey, Dhasaiyan, P., Prasad, B. L. V., and Roy, S., “Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study”, Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, vol. 230, no. 5-7, pp. 819-836, 2016.
A. Mallick, Saha, S., Pachfule, P., Roy, S., and Banerjee, R., “Structure and gas sorption behavior of a new three dimensional porous magnesium formate”, Inorganic Chemistry, vol. 50, no. 4, pp. 1392-1401, 2011.
S. Chakraborty and Roy, S., “Structure of nanorod assembly in the gyroid phase of diblock copolymer”, Journal of Physical Chemistry B, vol. 119, no. 22, pp. 6803-6812, 2015.