biblio
“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.
, “Electron attachment to DNA and RNA nucleobases: an EOMCC investigation”, International Journal of Quantum Chemistry, vol. 115, no. 12, pp. 753-764, 2015.
, “Oxidative addition of the C-I bond on aluminum nanoclusters”, Nanoscale, vol. 7, no. 28, pp. 12109-12125, 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.
, “Electron detachment and subsequent structural changes of water clusters”, Journal of Physical Chemistry A, vol. 120, no. 7, pp. 1065-1073, 2016.
, “Radical attached aluminum nanoclusters: an alternative way of cluster stabilization”, Physical Chemistry Chemical Physics, vol. 18, no. 31, pp. 21746-21759, 2016.
, “Transition metal doped aluminum clusters: an account of spin”, Journal of Physical Chemistry C, vol. 120, no. 18, pp. 10027-10040, 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.
, “Mechanistic investigation of the carbon-iodine bond activation on the niobium-carbon cluster”, ACS Omega, vol. 2 , no. 9, pp. 5335-5347, 2017.
, “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.
, “Aluminum cluster for CO and O-2 adsorption”, Journal of Molecular Modeling, vol. 25, no. 1, p. 2, 2019.
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