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“Electronic structure of spherical quantum dots using coupled cluster method”, Journal of Chemical Physics, vol. 127, no. 11, p. 114708, 2007.
, “Electric field response of molecular reactivity descriptors: a case study”, Theoretical Chemistry Accounts, vol. 120, no. 4-6, pp. 375-383, 2008.
, “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.
, “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.
, “Equation-of-motion coupled-cluster method for the study of shape resonance”, Journal of Chemical Physics, vol. 136, no. 23, p. 234110, 2012.
, “Extended coupled cluster for Raman and infrared spectra of small molecules”, Chemical Physics, vol. 403, pp. 25-32, 2012.
, “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.
, “Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study”, Chemical Physics, vol. 417, pp. 45-51, 2013.
, “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.
, “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.
, “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.
, “Electron attachment to DNA and RNA nucleobases: an EOMCC investigation”, International Journal of Quantum Chemistry, vol. 115, no. 12, pp. 753-764, 2015.
, “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.
, “Electron detachment and subsequent structural changes of water clusters”, Journal of Physical Chemistry A, vol. 120, no. 7, pp. 1065-1073, 2016.
, “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.
, “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.
, “Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides”, Journal of Chemical Physics, vol. 153, no. 18, p. 184306, 2020.
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