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Article

Gorantla, Koteswara Rao and Mallik, Bhabani S. (2021) Mechanism and Dynamics of Formation of Bisoxo Intermediates and O–O Bond in the Catalytic Water Oxidation Process. The Journal of Physical Chemistry A, 125 (1). pp. 279-290. ISSN 1089-5639

Gorantla, Koteswara Rao and Mallik, Bhabani S. (2021) Understanding the role of fluorination in the mechanistic nature of the water splitting process catalyzed by cobalt tris-(2-pyridylmethyl)amine complexes. Sustainable Energy & Fuels, 5 (8). pp. 2313-2324. ISSN 2398-4902

Gorantla, Koteswara Rao and Mallik, Bhabani S. (2020) Computational mechanistic study on molecular catalysis of water oxidation by cyclam ligand-based iron complex. Theoretical Chemistry Accounts, 139 (10). ISSN 1432-881X