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Filters: Keyword is DFT and Author is Vanka, Kumar  [Clear All Filters]
2023
G. Kundu, Dash, S. Ranjan, Kumar, R., Vanka, K., Ghosh, A., and Sen, S. S., “Enhancing diradical character of chichibabin's hydrocarbon through fluoride substitution”, ChemPlusChem, vol. 88, no. 8, p. e202300273, 2023.
2021
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.
M. Kumar Bisai, Das, T., Vanka, K., Gonnade, R. G., and Sen, S. S., “Unsymmetrical sp(2)-sp(3) disilenes”, Angewandte Chemie-International Edition, vol. 60, no. 38, pp. 20706-20710, 2021.
2020
S. Yadav, Kumar, R., K. Raj, V., Yadav, P., Vanka, K., and Sen, S. S., “Amidinato germylene-zinc complexes: synthesis, bonding, and reactivity”, Chemistry-An Asian Journal, vol. 15, no. 19, pp. 3116-3121, 2020.
2013
U. D. Phalgune, Vanka, K., and Rajamohanan, P. R., “GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives”, Magnetic Resonance in Chemistry, vol. 51, no. 12, pp. 767-774, 2013.
2012
B. P. Gurale, Vanka, K., and Shashidhar, M. S., “Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism”, Carbohydrate Research, vol. 351, pp. 26-34, 2012.