Theoretical & Computational Chemistry Group
PhD Positions Available! Contact: param@nitc.ac.in
2024
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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
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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
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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
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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
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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
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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
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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.
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