biblio
Export 18 results:
Filters: First Letter Of Title is R and Author is Pal, Sourav [Clear All Filters]
, “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.
, “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.
, “Relativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems”, Physical Review Applied, vol. 89, no. 4, p. 042510, 2014.
, “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.
, “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.
, “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.
, “Reactivity and catalytic activity of hydrogen atom chemisorbed silver clusters”, Journal of Physical Chemistry A, vol. 119, no. 24, pp. 6162-6170, 2015.
, “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.
, “Relativistic extended coupled cluster method for magnetic hyperfine structure constant”, Physical Review A, vol. 91, no. 2, p. Article No. 022512, 2015.
, “Radical attached aluminum nanoclusters: an alternative way of cluster stabilization”, Physical Chemistry Chemical Physics, vol. 18, no. 31, pp. 21746-21759, 2016.
, “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.
, “Relativistic equation-of-motion coupled-cluster method for the electron attachment problem”, Computational and Theoretical Chemistry, vol. 1076, pp. 94-100, 2016.
, “Relativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF”, Journal of Chemical Physics, vol. 150, no. 8, 2019.
, “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.
, “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.
, “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.
, “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.
, “Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics”, Theoretical Chemistry Accounts, vol. 142, no. 2, p. 15, 2023.