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“What drives the H-abstraction reaction in bio-mimetic oxoiron-bTAML complexes? A computational investigation”, Physical Chemistry and Chemical Physics, vol. 20, no. 20, pp. 13845-13850 , 2018.
, “Unraveling the hidden role of the counteranion in ``cation in a cage'' systems”, Journal of Physical Chemistry A, vol. 124, no. 39, pp. 8040-8049, 2020.
, “Computational insights into the role of external and local electric fields in macrocyclic chemical and biological systems”, ChemPhysChem, vol. 22, no. 23, pp. 2484-2492, 2021.
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