biblio

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2007
I. Heidari, Pal, S., Pujari, B. S., and Kanhere, D. G., “Electronic structure of spherical quantum dots using coupled cluster method”, Journal of Chemical Physics, vol. 127, no. 11, p. 114708, 2007.
2008
R. Kar and Pal, S., “Electric field response of molecular reactivity descriptors: a case study”, Theoretical Chemistry Accounts, vol. 120, no. 4-6, pp. 375-383, 2008.
2010
R. Kar and Pal, S., “Effect of solvents having different dielectric constants on reactivity: a conceptual DFT approach”, International Journal of Quantum Chemistry, vol. 110, no. 9, pp. 1642-1647, 2010.
2011
L. Ravichandran, Vaval, N., and Pal, S., “Effect of triples to dipole moments in fock-space multireference coupled cluster method”, Journal of Chemical Theory and Computation, vol. 7, no. 4, pp. 876-883, 2011.
2012
A. Ghosh, Vaval, N., and Pal, S., “Equation-of-motion coupled-cluster method for the study of shape resonance”, Journal of Chemical Physics, vol. 136, no. 23, p. 234110, 2012.
S. P. Joshi, Dutta, A. Kumar, Pal, S., and Vaval, N., “Extended coupled cluster for Raman and infrared spectra of small molecules”, Chemical Physics, vol. 403, pp. 25-32, 2012.
2013
D. Bhattacharya, Vaval, N., and Pal, S., “Electronic transition dipole moments and dipole oscillator strengths within fock-space multi-reference coupled cluster framework: an efficient and novel approach”, Journal of Chemical Physics, vol. 138, no. 9, p. 094108, 2013.
J. Gupta, Manohar, P. Uday, Ghosh, A., Vaval, N., and Pal, S., “Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study”, Chemical Physics, vol. 417, pp. 45-51, 2013.
2014
D. Manzoor, Krishnamurty, S., and Pal, S., “Effect of silicon doping on the reactivity and catalytic activity of gold clusters”, Journal of Physical Chemistry C, vol. 118, no. 14, pp. 7501-7507, 2014.
D. Bhattacharya, Vaval, N., and Pal, S., “Electronic transition dipole moment: a semi-biorthogonal approach within valence universal coupled cluster framework”, International Journal of Quantum Chemistry, vol. 114, no. 18, pp. 1212-1219, 2014.
D. Manzoor and Pal, S., “Enhanced interaction of molecular oxygen with amino acid complexes of silver and gold clusters”, Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry, vol. 53, no. 8-9, pp. 996-1000, 2014.
2015
A. Kumar Dutta, Sengupta, T., Vaval, N., and Pal, S., “Electron attachment to DNA and RNA nucleobases: an EOMCC investigation”, International Journal of Quantum Chemistry, vol. 115, no. 12, pp. 753-764, 2015.
A. Kumar Dutta, Vaval, N., and Pal, S., “EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentials”, Journal of Chemical Theory and Computation, vol. 11, no. 6, pp. 2461-2472, 2015.
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.
2017
T. Sengupta, Samanta, B., and Pal, S., “Effect of ligand attachment on the C-I bond dissociation process on aluminum nanoclusters: a DFT investigation”, Journal of Physical Chemistry C, vol. 121, no. 32, pp. 17354-17364, 2017.
2020
K. Talukdar, Nayak, M. K., Vaval, N., and Pal, S., “Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides”, Journal of Chemical Physics, vol. 153, no. 18, p. 184306, 2020.