biblio

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Conference Paper
S. Banik, Pal, S., and M. Prasad, D., “Study of molecular vibration by coupled cluster method: bosonic approach”, in Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010), 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA, 2015, vol. 1642, pp. 227-230.
Conference Proceedings
P. Uday Manohar, Shamasundar, K. R., Bag, A., Vaval, N., and Pal, S., “On some aspects of fock-space multi-reference coupled-cluster singles and doubles energies and optical properties”, Recent progress in coupled cluster methods: theory and applications, vol. 11. Springer, Netherlands, pp. 375-393, 2010.
Journal Article
M. Dixit, Maark, T. Adit, Ghatak, K., Ahuja, R., and Pal, S., “Scandium-decorated MOF-5 as potential candidates for room-temperature hydrogen storage: a solution for the clustering problem in MOFs”, Journal of Physical Chemistry C, vol. 116, no. 33, pp. 17336-17342, 2012.
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. Pal, Vaval, N., and Sajeev, Y., “Shape resonance in electron molecule scattering using coupled cluster method”, Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science, vol. 81, no. 10, pp. 1061-1067, 2007.
S. Basumallick, Bhattacharya, S., Jana, I., Vaval, N., and Pal, S., “Shape resonance of sulphur dioxide anion excited states using the CAP-CIP-FSMRCCSD method”, Molecular Physics, vol. 118, no. 16, 2020.
B. S. Kulkarni, Krishnamurty, S., and Pal, S., “Size- and shape-sensitive reactivity behavior of Al-n(n=2-5, 13, 30, and 100) clusters toward the N-2 molecule: a first-principles investigation”, Journal of Physical Chemistry C, vol. 115, no. 30, pp. 14615-14623, 2011.
B. Samanta, Sengupta, T., and Pal, S., “Specificity of amino acid-aluminum cluster interaction and subsequent oxygen activation by the above complex”, Journal of Physical Chemistry C , vol. 122, no. 49, pp. 28310-28323, 2018.
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.
A. Kumar Dutta, Dar, M., Vaval, N., and Pal, S., “Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation”, Journal of Physical Chemistry A, vol. 118, no. 8, pp. 1350-1362, 2014.
A. Ghosh, Pal, S., and Vaval, N., “Study of interatomic coulombic decay of Ne(H2O)(n) (n=1,3) clusters using equation-of-motion coupled-cluster method”, Journal of Chemical Physics, vol. 139, no. 6, p. Article No. 064112, 2013.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)”, Chemical Physics Letters, vol. 636, pp. 228-229, 2015.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities”, Chemical Physics Letters, vol. 635, pp. 168-173, 2015.