Mahesh Sundararajan

Bhabha Atomic Research Centre, Mumbai, Maharashtra, India 
Computational Chemistry
"Mahesh Sundararajan"
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Mishra L, Sundararajan M, Bandyopadhyay T. (2020) MD Simulation Reveals Differential Binding of Cm(III) and Th(IV) with Serum Transferrin at Acidic pH. Proteins
Mishra L, Sundararajan M, Bandyopadhyay T. (2020) Molecular dynamics simulations of plutonium binding and its decorporation from the binding-cleft of human serum transferrin. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry
Medabalmi V, Sundararajan M, Singh V, et al. (2020) Naphthalene diimide as a two-electron anolyte for aqueous and neutral pH redox flow batteries Journal of Materials Chemistry A. 8: 11218-11223
Sundararajan M, Park B, Baik MH. (2019) Regioselective Oxidation of C-H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host. Inorganic Chemistry
Zhan X, Yadav P, Diskin-Posner Y, et al. (2019) Positive shift in corrole redox potentials leveraged by modest β-CF-substitution helps achieve efficient photocatalytic C-H bond functionalization by group 13 complexes. Dalton Transactions (Cambridge, England : 2003)
Ahn S, Hong M, Sundararajan M, et al. (2019) Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling. Chemical Reviews
Rajpurohit J, Shukla P, Kumar P, et al. (2019) Stabilizing Terminal Ni(III)-Hydroxide Complex Using NNN-Pincer Ligands: Synthesis and Characterization. Inorganic Chemistry
Zhan X, Teplitzky P, Diskin-Posner Y, et al. (2019) Maximizing Property Tuning of Phosphorus Corrole Photocatalysts through a Trifluoromethylation Approach. Inorganic Chemistry
Mishra L, Pramilla Damodar S, Sundararajan M, et al. (2019) Binding of Cm(III) and Th(IV) with Human Transferrin at Serum pH : Combined QM and MD Investigations. The Journal of Physical Chemistry. B
Chandrasekar A, Ghanty TK, Brahmmananda Rao CVS, et al. (2019) Strong influence of weak hydrogen bonding on actinide-phosphonate complexation: accurate predictions from DFT followed by experimental validation. Physical Chemistry Chemical Physics : Pccp
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