biblio

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Filters: Author is Vanka, Kumar and Keyword is Density functional calculations  [Clear All Filters]
2023
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.
2021
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.
2018
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.
2017
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.
2016
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.
2014
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.
2010
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.