Jayshree K. Khedkar
	Research Fellow, Department of Chemistry, University of Pune, Ganeshkhind, Pune 411007 (India)

Education

Research Interests

Publications

1. Binding of Rhodamine B and Kiton Red S to Cucurbit[7]uril: Density Functional Investigations.
   J. K. Khedkar, K. K. Jagtap, R. V. Pinjari, A. K. Ray, S. P. Gejji.
   Journal of Molecular Modeling,(2012) DOI:10.1007/s00894-012-1375-6
2. Binding of nitrophenol isomers to calix[n]arene (n=4,6) hosts.
   J. K. Khedkar and S. P. Gejji.
   Computational and Theoretical Chemistry, 991 (2012) 201-211.
3. Hydrogen bond energies and cooperativity in substituted calix[n]arenes (n=4, 5)
   J. K. Khedkar, M. M.Deshmukh,S. R. Gadre, S. P. Gejji.
   J. Phys. Chem. A, 116 (2012) 3739-3744
4. Electronic Structure, Molecular Electrostaic Potentials, Vibrational Spectra in Substituted Calix[n]arenes (n = 4, 5) from Density Functional Theory.
   J. K. Khedkar, R. V. Pinjari, S. P. Gejji.
   J. Phys.Chem. A, 115 (2011) 10624-10637.
5. Electronic Structure, Vibrational Spectra and ¹H NMR of Halide ion (F^-, Cl^- and Br^-) Encapsulated Bambus[6]uril from Density Functional Theory.
   V. V. Gobre, P. H. Dixit, J. K. Khedkar, S. P. Gejji.
   Computational and Theoretical Chemistry, 976 (2011) 76-82.
6. Electronic Structure and Normal Vibrations in (+)-Catechin and (-)-Epicatechin encapsulated β-cyclodextrin
   J. K. Khedkar, V. V. Gobre, R. V. Pinjari, S. P. Gejji.
   J. Phys. Chem. A, 114 (2010) 7725-7732.
7. Cavity Diameter and Height of Cyclodextrins and Cucurbit[n]urils from the Molecular Electrostatic Potential Topography
   R. V. Pinjari, J. K. Khedkar, S. P. Gejji
   J. Incl. Phenom. Macrocycl. Chem., 66 (2010) 371-380.