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Journal Article
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule”, Physical Review A, vol. 91, no. 3, p. 030503, 2015.
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. Manzoor, Pal, S., and Krishnamurty, S., “Influence of charge and ligand on the finite temperature behavior of gold clusters: a BOMD study on Au-6 cluster”, Journal of Physical Chemistry C, vol. 117, no. 40, pp. 20982-20990, 2013.
R. Kar, Chandrakumar, K. R. S., and Pal, S., “Influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes”, Journal of Physical Chemistry A, vol. 111, no. 2, pp. 375-383, 2007.
B. S. Kulkarni, Krishnamurty, S., and Pal, S., “Influence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction”, Chemical Physics Letters, vol. 484, no. 4-6, pp. 374-379, 2010.
A. Tanwar, Bagchi, B., and Pal, S., “Interaction induced shifts in O-H stretching frequency of water in halide-ion water clusters: a microscopic approach with a bond descriptor”, Journal of Chemical Physics, vol. 125, no. 21, p. Article No. 214304, 2006.
A. Ghosh, Pal, S., and Vaval, N., “Interatomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method”, Molecular Physics, vol. 112, no. 5-6, pp. 669-673, 2013.
A. Ghosh, Pal, S., and Vaval, N., “Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation”, Molecular Physics, vol. 119, no. 9, p. e1884300, 2021.
A. Kumar Dutta, Gupta, J., Vaval, N., and Pal, S., “Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra”, Journal of Chemical Theory and Computation, vol. 10, no. 9, pp. 3656-3668, 2014.
E. Eliav, Borschevsky, A., Shamasundar, K. R., Pal, S., and Kaldor, U., “Intermediate hamiltonian hilbert space coupled cluster method: theory and pilot application”, International Journal of Quantum Chemistry, vol. 109, no. 13, pp. 2909-2915, 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.