K.  Selvaraj and Kurian, R., ?Dependence of Si-29 NMR chemical shielding properties of precursor silicate species, Q(0) on its local structure at the pre-nucleation stages of zeolite synthesis - a DFT based computational correlation?, Microporous and Mesoporous Materials, vol. 122, no. 1-3, pp. 105-113, 2009.

K. Suranjit Prasad, Amin, Y., and Selvaraj, K., ?Defluoridation using biomimetically synthesized nano zirconium chitosan composite: kinetic and equilibrium studies?, Journal of Hazardous Materials, vol. 276, pp. 232-240, 2014.

K.  Joshi, Krishnamurty, S., Singh, I., and Selvaraj, K., ?DFT based assay for tailor-made terpyridine ligand-metal complexation properties?, Molecular Simulations, vol. 42, no. 8, pp. 618-627, 2016.

D. S.  Chauhan, Prasad, R., Devrukhkar, J., Selvaraj, K., and Srivastava, R., ?Disintegrable NIR light triggered gold nanorods supported liposomal nanohybrids for cancer theranostics?, Bioconjugate Chemistry, vol. 29, no. 5, pp. 1510-1518, 2018.

A.  Maibam, Govindaraja, T., Selvaraj, K., and Krishnamurty, S., ?Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena?, Journal of Physical Chemistry C, vol. 123, no. 45, pp. 27492-27500, 2019.