C. V.  Ramana, Patel, P., Vanka, K., Miao, B., and Degterev, A., ?Combined experimental and density functional theory study on the Pd-mediated cycloisomerization of o-alkynylnitrobenzenes - synthesis of isatogens and their evaluation as modulators of ROS-mediated cell death?, European Journal of Organic Chemistry, no. 31, pp. 5955-5966, 2010.

J.  Kumawat, Gupta, V. Kumar, and Vanka, K., ?Nature of the active site in ziegler-natta olefin polymerization catalysis systems - a computational investigation?, European Journal of Inorganic Chemistry, no. 29, pp. 5063-5076, 2014.

J.  Kumawat, Gupta, V. Kumar, and Vanka, K., ?Effect of donors on the activation mechanism in ziegler-natta catalysis: a computational study?, Chemcatchem, vol. 8, no. 10, pp. 1809-1818, 2016.

K.  Srinivas, Dangat, Y., Kommagalla, Y., Vanka, K., and Ramana, C. V., ?Electronic control on linear versus branched alkylation of 2-/3-aroylbenzofurans with acrylates: combined DFT and synthetic studies?, Chemistry-A European Journal, vol. 23, no. 31, pp. 7570-7581, 2017.

S.  Yadav, Dixit, R., Vanka, K., and Sen, S. S., ?Beyond hydrofunctionalisation: a well-defined calcium compound catalysed mild and efficient carbonyl cyanosilylation?, Chemistry-A European Journal, vol. 24, no. 6, pp. 1269-1273, 2018.

A.  Mukherjee, Ghule, S., and Vanka, K., ?Computational insights into the role of external and local electric fields in macrocyclic chemical and biological systems?, ChemPhysChem, vol. 22, no. 23, pp. 2484-2492, 2021.

S.  Banerjee and Vanka, K., ?"Weak" C-H???S interaction drives enantioselectivity in cinchona alkaloid complex catalyzed thiocyanation?, Chemistry-An Asian Journal, vol. 18, no. 14, p. e202300321, 2023.