D.  Kumar, Govindaraja, T., Krishnamurty, S., Kaliaperumal, S., and Pal, S., ?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.

P. Paramita Samal, Joshi, K., Kaliaperumal, S., and Krishnamurty, S., ?Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule?, Computational and Theoretical Chemistry, vol. 1170, p. 112624, 2019.

T. Govindaraj Senthamaraikannan, Krishnamurty, S., and Kaliaperumal, S., ?Graphene-based frustrated Lewis pairs as bifunctional catalysts for CO2 reduction via the dissociative chemisorption of molecular H-2: a periodic density functional perspective?, New Journal of Chemistry, vol. 45, no. 22, pp. 9959-9966, 2021.

T. Govindaraj Senthamaraikannan, Kaliaperumal, S., and Krishnamurty, S., ?Role of chemical structure of support in enhancing the catalytic activity of a single atom catalyst toward NRR: a computational study?, Frontiers in Chemistry, vol. 9, 2021.

M.  Mukul, Kaliaperumal, S., Rani, M., and Tripathi, S. Kant, ?Unleashing methylammonium-guanidinium lead iodide hybrid perovskite spherulitic microstructures: a structural and morphological investigation?, MRS Communications, vol. 13, no. 3, pp. 406-415, 2023.