biblio

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2023
N. S. Samudre, Singh, C. Pratap, and Krishnamurty, S., “Understanding the thermal stability of a 3d, 4d, and 5d element doped aluminium nanocluster through BOMD simulations”, Molecular Simulation, vol. 49, no. 3, pp. 245-250, 2023.
2024
P. Khadilkar, Samudre, N. S., and Krishnamurty, S., “Quasi-molecular hydrogen storage capacity of graphene quantum dots: A dispersion corrected DFT study”, Journal of Energy Storage, vol. 84, 2024.
G. Swain, Kumar, S., and Samudre, N. S., “Variations in packing as a function of side chains in random copolymers and its impact on charge carrier mobility”, Macromolecular Chemistry and Physics, 2024.