Theoretical & Computational Chemistry Group
PhD Positions Available! Contact: param@nitc.ac.in
2021
63. "Stabilization of Reactive Nitrene by Silylenes without using a Reducing Metal." Y. Ding, S. K. Sarkar, M. Nazish, S. Muhammed, D. Lüert, P. N. Ruth, C. M. Legendre, R. Herbst-Irmer, P. Parameswaran, D. Stalke, Z. Yang, H. W. Roesky, Angewandte Chemie International Edition 2021, 60, 27206. DOI: 10.1002/ange.202110456.
62. "Correlation between bonding, philicity and substituent effects in cyclopropenylidenes." P. V. Muhasina, A. M. Binoy, P. Parameswaran, Computational and Theoretical Chemistry 2021, 1205, 113437. DOI: 10.1016/j.comptc.2021.113437.
61. "Gallium Ligand Coordinated Group 15 Compounds (LGa−ECp', L=(CHNMe)2CH, E=N − Bi, Cp'=η1-C5H5): Changeover from Electron-Sharing to Donor-Acceptor σ-Interaction." P. V. Muhasina, P. Parameswaran, ChemistrySelect 2021, 6, 9911. DOI: 10.1002/slct.202102415.
60. "Stabilization of group 14 elements E = C, Si, Ge by heterobileptic ligands cAAC, MCOn with push‐pull mechanism." Sai Manoj N. V. T. Gorantla, P. Parameswaran, K. C. Mondal, Journal of Computational Chemistry 2021, 42, 1159. DOI: 10.1002/jcc.26530.
59. "The diverse reactivity of NOBF4 towards silylene, disilene, germylene and stannylene." N. Parvin, N. Sen, P. V. Muhasina, P. Parameswaran, S. Khan, Chemical Communications 2021, 57, 5008. DOI: 10.1039/D1CC01034D.
58. "Nature of C-N bond in N-heterocyclic carbene." V. C. Rojisha, I. Purushothaman, S. De, P. Parameswaran, Chemical Physics Letters 2021, 765, 138312. DOI: 10.1016/j.cplett.2020.138312.
57. "Synthesis, TDDFT Calculations and Biological Evaluation of Dicationic Porphyrins as Groove Binders and Antimicrobial Agents." D. Mathew, J. Ramesh, S. Sasidharan, K. Subburaj, P. Saudagar, P. Parameswaran, S. Sujatha, ChemistrySelect 2021, 6, 396. DOI: 10.1002/slct.202003858.
56. "Synthesis and Application of Silylene-Stabilized Low-Coordinate Ag (I)–Arene Cationic Complexes." N. Parvin, N. Sen, S. Tothadi, S. Muhammed, P. Parameswaran, S. Khan Organometallics 2021, 40, 1626. DOI: 10.1021/acs.organomet.1c00083.