Theoretical & Computational Chemistry Group
PhD Positions Available! Contact: param@nitc.ac.in
2024
90. "Carbone Stabilized B2 and B22+ - Isoelectronic Analogous to Diborabutyne and Diborabutatriene" J. S. Gopinath, N. Vadakkathodika and P. Parameswaran , Dalton Trans., 2024, 53, 3880-3892. https://doi.org/10.1039/D3DT04358D
91. "Schwesinger Bases – Phosphazene Bases Stabilized by Multiple Counterpoise Hyperconjugative Interactions" S. Muhammed, H. Manojkumar and P. Parameswaran, ChemistrySelect, 2024, 9, e202304332. https://doi.org/10.1002/slct.202304332
92. "Beryllium Carbonyl Be(CO)n (n = 1-4) Complex: A p-Orbital Analogy of Dewar-Chatt-Duncanson Model" S. K. Purkayastha, S. S. Rohman, P. Parameswaran and A. K. Guha, Phys. Chem. Chem. Phys., 2024, 26, 12573-12579. https://doi.org/10.1039/D4CP00908H
93. "Mechanistic Insights into the [3+1] Cycloadditions of Me3SiN3 on Bis-silylene and the Formation of Pseudo-Silaazatriene" S. Muhammed and P. Parameswaran, Eur. J. Inorg. Chem. 2024, e202400031. https://doi.org/10.1002/ejic.202400031
94. "Pentacycloundecanylidene and Pentcaycloundecanone – Hyperconjugatively Stabilized Carbene and Ketone" J. S. Gopinath and P. Parameswaran, Phys. Chem. Chem. Phys., 2024, 26, 13452 - 13462. https://doi.org/10.1039/D4CP01248H
95. "An investigation of the excitation wavelength-dependent dynamic changes in the mechanism of detection of picric acid using pyrene-based donor-acceptor systems" V. Sreelaya, S. S. Rohman, P. Parameswaran and L. Chakkumkumarath, ChemPhysChem 2024, e202400264. https://doi.org/10.1002/cphc.202400264
96. "1,3-Dipolar Cycloadduct of Organometallic Allene with Dipolarophile – An Apparent Hückel - Möbius Aromatic Five-membered Organometallic Carbene with Ambiphilic Reactivity" J. S. Gopinath and P. Parameswaran, Organometallics 2024, 43, 13, 1411–1424. https://doi.org/10.1021/acs.organomet.4c00143
97. " Fine Tuning the Work Function of ZnO Cathode Buffer Layers inOrganic Solar Cells by Phenanthroline Coordination" A. C. S. Nair, A. Rajan, K. P. A. Raj, A. M. Rajendran, M. R. Benny, K. Murali, P. Parameswaran, C. S. S. Sangeeth, R. Chatanathodi, V. S. Reddy, ACS Appl. Energy Mater .2024. 7,19,9011-9022. https://doi.org/10.1021/acsaem.4c02155