biblio

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2019
B. Samanta, Sengupta, T., and Pal, S., Aluminum cluster for CO and O-2 adsorption, Journal of Molecular Modeling, vol. 25, no. 1, p. 2, 2019.
2016
S. Sasmal, Talukdar, K., Nayak, M. K., Vaval, N., and Pal, S., Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework, Journal of Chemical Sciences, vol. 128, no. 10, pp. 1671-1675, 2016.
D. Manzoor, Krishnamurty, S., and Pal, S., Contriving a catalytically active structure from an inert conformation: a density functionalinvestigation of Al, Hf, and Ge doping of Au-20 tetrahedral clusters, Journal of Physical Chemistry C, vol. 120, no. 35, pp. 19636-19641, 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.
D. Manzoor, Krishnamurty, S., and Pal, S., Endohedrally doped gold nanocages: efficient catalysts for O-2 activation and CO oxidation, Physical Chemistry Chemical Physics, vol. 18, no. 10, pp. 7068-7074, 2016.
M. Dixit, Major, D. Thomas, and Pal, S., Hydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study, Chemical Physics Letters, vol. 651, pp. 178-182, 2016.
V. Sharma, Prasad, M., Jadkar, S., and Pal, S., Influence of carbon and phosphorus doping on electronic properties of ZnO, Journal of Materials Science-Materials in Electronics, vol. 27, no. 12, pp. 12318-12322, 2016.
D. Kumar, Pal, S., and Krishnamurty, S., N-2 activation on Al metal clusters: catalyzing role of BN-doped graphene support, Physical Chemistry Chemical Physics, vol. 18, no. 40, pp. 27721-27727, 2016.
T. Sengupta and Pal, S., Radical attached aluminum nanoclusters: an alternative way of cluster stabilization, Physical Chemistry Chemical Physics, vol. 18, no. 31, pp. 21746-21759, 2016.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., Relativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction, Physical Review A, vol. 93, no. 6, p. 062506, 2016.
H. Pathak, Sasmal, S., Nayak, M. K., Vaval, N., and Pal, S., Relativistic equation-of-motion coupled-cluster method for the electron attachment problem, Computational and Theoretical Chemistry, vol. 1076, pp. 94-100, 2016.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., Search for parity and time reversal violating effects in HgH: relativistic coupled-cluster study, Journal of Chemical Physics, vol. 144, no. 12, p. Article No. 124307, 2016.
S. K. Singh, Kumar, D., Dhavale, V. M., Pal, S., and Kurungot, S., Strategic Preparation of Efficient and Durable NiCo Alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation, Advanced Materials Interfaces, vol. 3, no. 20, p. 1600532, 2016.