biblio

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Filters: Keyword is Electron density  [Clear All Filters]
2009
K. Selvaraj and Kurian, R., “Dependence of Si-29 NMR chemical shielding properties of precursor silicate species, Q(0) on its local structure at the pre-nucleation stages of zeolite synthesis - a DFT based computational correlation”, Microporous and Mesoporous Materials, vol. 122, no. 1-3, pp. 105-113, 2009.
2019
C. Kalaiarasi, George, C., Gonnade, R. G., Hathwar, V. R., and Poomani, K., “Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole”, Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials, vol. 75, pp. 942-953, 2019.
2020
C. Kalaiarasi, Sivanandam, M., Suganya, S., Christy, G., Gonnade, R. G., Hathwar, V. R., and Kumaradhas, P., “Investigation of bond topological and electrostatic properties of plumbagin molecule: an experimental and theoretical charge density study”, Journal of Molecular Structure, vol. 1220, p. 128714, 2020.