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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.
D. Manzoor and Pal, S., “Reactivity and catalytic activity of hydrogen atom chemisorbed silver clusters”, Journal of Physical Chemistry A, vol. 119, no. 24, pp. 6162-6170, 2015.
S. Pal, “Reactivity descriptors: conceptual and computational developments”, in International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, Greece, 2005, vol. 4A-4B, pp. 1172-1174.
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Relativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF”, Journal of Chemical Physics, vol. 150, no. 8, 2019.
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Relativistic coupled-cluster study of BaF in search of CP violation”, Journal of Physics B-Atomic Molecular and Optical Physics, vol. 53, no. 13, p. 135102, 2020.
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.
K. Talukdar, Buragohain, H., Nayak, M. K. K., Vaval, N., and Pal, S., “Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics”, Theoretical Chemistry Accounts, vol. 142, no. 2, p. 15, 2023.
H. Pathak, Sasmal, S., Talukdar, K., Nayak, M. K., Veval, N., and Pal, S., “Relativistic double-ionization equation-of-motion coupled-cluster method: application to low-lying doubly ionized states”, Journal of Chemical Physics, vol. 152, no. 10, p. 104302, 2020.
H. Pathak, Sahoo, B. K., Sengupta, T., Das, B. P., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems”, Journal of Physics B-Atomic Molecular and Optical Physics, vol. 48, no. 11, p. 115009, 2015.
H. Pathak, Sahoo, B. K., Das, B. P., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems”, Physical Review Applied, vol. 89, no. 4, p. 042510, 2014.
H. Pathak, Ghosh, A., Sahoo, B. K., Das, B. P., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms”, Physical Review A, vol. 90, no. 1, p. Article No. 010501, 2014.
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.
H. Pathak, Sasmal, S., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method for the ionization problem: application to molecules”, Physical Review A, vol. 90, no. 6, p. Article No. 062501, 2014.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic extended coupled cluster method for magnetic hyperfine structure constant”, Physical Review A, vol. 91, no. 2, p. Article No. 022512, 2015.
M. Das, Sahoo, B. K., and Pal, S., “Relativistic spectroscopy of plasma-embedded Li-like systems with screening effects in two-body Debye potentials”, Journal of Physics B-Atomic Molecular and Optical Physics, vol. 47, no. 17, p. 175701, 2014.
I. Jana, Basumallick, S., Pal, S., and Vaval, N., “Resonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster”, International Journal of Quantum Chemistry, vol. 121, no. 17, p. e26738, 2021.
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Role of electron correlation in the P, T-odd effects of CdH: a relativistic coupled-cluster investigation”, Physical Review A, vol. 101, no. 3, p. 032505, 2020.
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.