biblio

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Filters: Keyword is Reactivity descriptors  [Clear All Filters]
2008
R. Kar and Pal, S., “Electric field response of molecular reactivity descriptors: a case study”, Theoretical Chemistry Accounts, vol. 120, no. 4-6, pp. 375-383, 2008.
2010
R. Kar and Pal, S., “Effect of solvents having different dielectric constants on reactivity: a conceptual DFT approach”, International Journal of Quantum Chemistry, vol. 110, no. 9, pp. 1642-1647, 2010.
B. S. Kulkarni, Krishnamurty, S., and Pal, S., “Probing lewis acidity and reactivity of Sn- and Ti-beta zeolite using industrially important moieties: a periodic density functional study”, Journal of Molecular Catalysis A-Chemical, vol. 329, no. 1-2, pp. 36-43, 2010.
2013
B. S. Kulkarni, Mishra, D., and Pal, S., “Role of substituents on the reactivity and electron density profile of diimine ligands: a density functional theory based study”, Journal of Chemical Sciences, vol. 125, no. 5, pp. 1247-1258, 2013.