Theoretical & Computational Chemistry Group
PhD Positions Available! Contact: param@nitc.ac.in
Research Interests
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Coordination chemistry at the main-group elements
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Designing of ligands and catalysts
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Computational Biomimetic Catalysis
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Computational nano-materials
Projects
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"Stabilization of Compounds with Zero-valent Main-group Elements" Funding Agency : SERB-India (Core Research Grant) (Amount : Rs 32.5lakhs, ongoing)
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"Naked Carbon as a Bridging Ligand in Bimetallic Ruthenium Complexes - A Theoretical Study on the Formation, Stability, Bonding and Reactivity" Funding Agency : DST-SERB (Amount : Rs 31lakhs, completed)
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"High Energy-density Photochemical Fuels Based on Nanomaterial HybridFunding Agency : DST, India (Nano Mission Scheme), Role: Co-PI, (Amount : Rs 44.25 lakhs, Completed)
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"Activation of Inert Molecules and Oligomerization Reactions of Alkynes by Uranium Complexes: A Quantum Mechanical Investigation" Funding Agency : NIT Calicut under Faculty Research Grant scheme (Amount : Rs 5 lakhs, Duration : 2010 - 2013)
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"Design of Uranium Based Catalyst for Activation and Functionalization of N2 and CO: A Computational Quantum Mechanical Study" Funding Agency : Department of Science and Technology, Government of India (Amount : Rs 25.5 lakhs, Duration : 2012 - 2016)