I.  Anis, Dar, M. Saleem, Rather, G. Mohammad, and Dar, M. Ahmad, ?Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method?, New Journal of Chemistry, vol. 46, no. 13, pp. 6244-6254, 2022.

A.  Hassan, Anis, I., Shafi, S., Assad, A., Rasool, A., Khanam, R., Bhat, G. Ahmad, Krishnamurty, S., and Dar, M. Ahmad, ?First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer?, ACS Applied Nano Materials, vol. 5, no. 10, pp. 15409-15417, 2022.

I.  Anis, Dar, M. Saleem, Bhat, G. Ahmad, Rather, G. Mohammad, and Dar, M. Ahmad, ?Probing the site-specific reactivity and catalytic activity of Ag-n (n=15-20) silver clusters?, ACS Omega, vol. 7, no. 23, pp. 19687-19693, 2022.

A.  Rasool, Anis, I., Dixit, M., Maibam, A., Hassan, A., Krishnamurty, S., and Dar, M. Ahmad, ?Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation?, Catalysis Science & Technology, vol. 12, no. 1, pp. 310-319, 2022.