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“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.
, “Thermal stability of an endohedrally doped aluminum nanoclusters: a BOMD study”, Theoretical Chemistry Accounts, vol. 140, no. 9, p. 132, 2021.
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