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Exploring Frontiers in Computational Chemistry

Unlocking Molecular Mysteries with Chemists at NIT Calicut

Research Interests

  • Coordination chemistry at the main-group elements

  • Designing of ligands and catalysts

  • Computational Biomimetic Catalysis

  • Computational nano-materials

Projects

"Stabilization of Compounds with Zero-valent Main-group Elements" Funding Agency : SERB-India (Core Research Grant) (Amount : Rs 32.5lakhs, ongoing)

"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)

"High Energy-density Photochemical Fuels Based on Nanomaterial HybridFunding Agency : DST, India (Nano Mission Scheme), Role: Co-PI,  (Amount : Rs 44.25 lakhs, Completed)

"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)

"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)

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About our group

We are a small group of chemists focusing on the electronic structure studies of novel main groups and transition metal compounds using state-of-the-art techniques. Our main research direction includes pursuits of structure, chemical bonding, and reactivity.

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