K. K.  Singh, Tiwari, M. K., Dhar, B. B., Vanka, K., and Gupta, S. Sen, ?Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature?, Inorganic Chemistry, vol. 54, no. 13, pp. 6112-6121, 2015.

A. K.  Jana, Tiwari, M. K., Vanka, K., and Sengupta, N., ?Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures?, Physical Chemistry Chemical Physics, vol. 18, no. 8, pp. 5910-5924, 2016.

A.  Mukherjee, Ghule, S., Tiwari, M. K., and Vanka, K., ?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.

S. Ranjan Dash, Sharma, H., Tiwari, M. K., Greb, L., and Vanka, K., ?Size matters: computational insights into the crowning of noble gas trioxides?, Inorganic Chemistry, vol. 63, pp. 4099-4107, 2024.