Theoretical & Computational Chemistry Group
PhD Positions Available! Contact: param@nitc.ac.in
2018
46. "A Dicobalt Coordination Complex with a Short Cobalt‐Cobalt Distance." J. Kumar, N. V. T. S. M. Gorantla, S. Roy, A. N. Paesch, R. Herbst-Irmer, D. Stalke, C. Anusha, S. De, P. Parameswaran, H. W. Roesky, K. C. Mondal, ChemistrySelect 2018, 3, 8221. DOI: 10.1002/slct.201801172.
45. "Differential reactivity of 3H-indole styrylcyanines: Intermolecular [4π + 2π] cycloaddition vs. proton - Shift coupled six - Electron electrocyclization." A. Thottiparambil, I. Purushothaman, S. De, P. Parameswaran, P. S. Beegum, P.K. S. Antharjanam, L. Chakkumkumarath, Tetrahedron 2018, 74, 2999. DOI: 10.1016/j.tet.2018.04.085.
44. "Effect of Transition Metal Fragments on the Reverse Fritsch-Buttenberg-Wiechell Type Ring Contraction Reaction of Metallabenzynes to Metal-Carbene Complexes." C. Anusha, S. De, P. Parameswaran, Journal of Physical Chemistry A 2018, 122, 2160. DOI: 10.1021/acs.jpca.7b10335.
43. "Different Donor-Acceptor Interactions of Carbene Ligands in Heteroleptic Divalent Group 14 Compounds, LEL' (E = C-Sn; L = N-heterocyclic Carbene; L' = Cyclic Alkyl(Amino) Carbene).” I. Purushothaman, S. De, P. Parameswaran, Chemistry—A European Journal 2018, 24, 3816. DOI: 10.1002/chem.201705719.
42. "Styrene butadiene rubber as a viscosity improver: Experimental investigations and quantum chemical studies." S. Sabarinath, K. P. Nair, PK. Rajendrakumar, P. Parameswaran, Journal of Tribology 2018, 232, 427. DOI: 10.1177/1350650117718092.