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J. Kumawat, Gupta, V. Kumar, and Vanka, K., “Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation”, Organometallics, vol. 33, no. 17, pp. 4357-4367, 2014.
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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.
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V. K. Raj, Kumawat, J., Dhamaniya, S., Subaramanian, M., Balaraman, E., Gupta, V. Kumar, Vanka, K., and Grubbs, R. H., “Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study”, ChemCatChem, vol. 13, no. 2, pp. 674-681, 2021.
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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.
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J. Kumawat, Gupta, V. Kumar, and Vanka, K., “Role of the (104) MgCl2 lateral cut in ziegler-natta catalysis: a computational investigation”, Journal of Physical Chemistry C, vol. 122, no. 1, pp. 285-296, 2018.