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“Density functional investigation of relativistic effects on the structure and reactivity of tetrahedral gold clusters”, Journal of Physical Chemistry C, vol. 113, no. 17, pp. 7101-7106, 2009.
, “Dinitrogen activation by silicon and phosphorus doped aluminum clusters”, Journal of Physical Chemistry C, vol. 118, no. 34, pp. 19869-19878, 2014.
, “DFT based assay for tailor-made terpyridine ligand-metal complexation properties”, Molecular Simulations, vol. 42, no. 8, pp. 618-627, 2016.
, “Dissociative adsorption of molecular hydrogen on BN-doped graphene-supported aluminum clusters”, Journal of Physical Chemistry C, vol. 121, no. 47, pp. 26493-26498, 2017.
, “Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study”, Physical Chemistry Chemical Physics , vol. 20, no. 41, pp. 26506-26512, 2018.
, “Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena”, Journal of Physical Chemistry C, vol. 123, no. 45, pp. 27492-27500, 2019.
, “Durable metalloporphyrin 2D-polymer for photocatalytic hydrogen and oxygen evolution from river and sea waters”, ChemCatChem, vol. 13, no. 7, pp. 1717-1721, 2021.
, “D-A-D-based unsymmetrical thiosquaraine dye for the dye-sensitized solar cells(dagger)”, Photochemistry and Photobiology, vol. 99, no. 2, pp. 529-537, 2023.
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