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S. Banik, Pal, S., and M. Prasad, D., “Calculation of dipole transition matrix elements and expectation values by vibrational coupled cluster method”, Journal of Chemical Theory and Computation, vol. 6, no. 10, pp. 3198-3204, 2010.
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.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework”, Journal of Chemical Physics, vol. 143, no. 8, p. 084119, 2015.
S. Banik, Pal, S., and M. Prasad, D., “Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies”, Journal of Chemical Physics, vol. 129, no. 13, p. 134111, 2008.
A. Ghosh, Karne, A. S., Pal, S., and Vaval, N., “CAP/EOM-CCSD method for the study of potential curves of resonant states”, Physical Chemistry Chemical Physics, vol. 15, no. 41, pp. 17915-17921, 2013.
S. Saha, Roy, R. Kinkar, and Pal, S., “CDASE-A reliable scheme to explain the reactivity sequence between Diels-Alder pairs”, Physical Chemistry Chemical Physics, vol. 12, no. 32, pp. 9328-9338, 2010.
S. Shetty, Kulkarni, B. S., Kanhere, D. G., Goursot, A., and Pal, S., “Comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory”, Journal of Physical Chemistry B, vol. 112, no. 9, pp. 2573-2579, 2008.
S. V. Shedge, Carmona-Espindola, J., Pal, S., and Koster, A. M., “Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed kohn-sham method: case study of the polarizabilities of disubstituted azoarene molecules”, Journal of Physical Chemistry A, vol. 114, no. 6, pp. 2357-2364, 2010.
S. Pal, “Complex absorbing potential based coupled-cluster methods to metastable states”, in 248th National Meeting of the American-Chemical-Society (ACS), 1155 16th ST, NW, Washington, DC 20036 USA, 2014, vol. 248, p. Meeting Abstract: 504-COMP.
A. Ghosh, Vaval, N., Pal, S., and Bartlett, R. J., “Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO2- anion”, Journal of Chemical Physics, vol. 141, no. 16, p. Article No. 164113, 2014.
K. Ghatak, Sengupta, T., Krishnamurty, S., and Pal, S., “Computational investigation on the catalytic activity of Rh-6 and Rh4Ru2 clusters towards methanol activation”, Theoretical Chemistry Accounts , vol. 134, no. 1, p. 1597, 2014.
M. S. Khan, Pal, S., and Krupadam, R. J., “Computational strategies for understanding the nature of interaction in dioxin imprinted nanoporous trappers”, Journal of Molecular Recognition, vol. 28, no. 7, pp. 427-437, 2015.
T. Kelkar and Pal, S., “Computational study of electronic structure, thermodynamics and kinetics of hydrogen desorption from Al- and Si-doped alpha-, gamma-, and beta-MgH2”, Journal of Materials Chemistry, vol. 19, no. 25, pp. 4348-4355, 2009.
S. S. Kale, Kotmale, A. S., Dutta, A. Kumar, Pal, S., Rajamohanan, P. R., and Sanjayan, G. J., “Conformational modulation of Ant-Pro oligomers using chirality alteration of proline residues”, Organic & Biomolecular Chemistry, vol. 10, no. 42, pp. 8426-8433, 2012.
A. Ghosh, Gupta, J., Pal, S., and Vaval, N., “Constrained variational approach for energy derivatives in Intermediate hamiltonian fock-space coupled-cluster theory”, Chemical Physics, vol. 401, pp. 45-49, 2012.
P. Uday Manohar and Pal, S., “Constrained variational response to fock-space multi-reference coupled-cluster theory: formulation for excited-state electronic structure calculations and some pilot applications”, in Computational Methods in Science and Engineering Vol 1: Theory and Computation: Old Problems and New Challenges, 2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA, 2007, vol. 963, pp. 337-344.
P. Uday Manohar, Vaval, N., and Pal, S., “Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications”, Journal of Molecular Structure-Theochem, vol. 768, no. 1-3, pp. 91-96, 2006.
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.
K. Talukdar, Sasmal, S., Nayak, M. K., Vaval, N., and Pal, S., “Correlation trends in the magnetic hyperfine structure of atoms: a relativistic coupled-cluster case study”, Physical Review A, vol. 98, no. 2, 2018.