biblio

Found 2 results
Filters: Author is Selvaraj, Kaliaperumal and Keyword is Density functional theory  [Clear All Filters]
2016
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.
2020
Z. Manappadan, Kumar, S., Joshi, K., Govindaraja, T., Krishnamurty, S., and Selvaraj, K., “Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches”, Journal of Hazardous Materials, vol. 388, p. 121755, 2020.