Molecular Modelling Group

  • Home
  • Team
  • Research
  • Facilities
  • Publications
  • Funding
  • Home
  • Team
  • Research
  • Facilities
  • Publications
  • Funding

Our projects



Our studies are aimed at understanding the structure, properties, and reactivity of metal complexes/clusters possessing unpaired electrons (open-shell systems). The activity diverges essentially into five components namely :

  1. studies on molecular nano magnets.
  2. reaction modelling for open shell transition metal mediated catalytic reactions.
  3. modelling of metal organic frameworks.
  4. modelling molecular spintronic materials.
  5. modelling of metalloenzyme structures and reactivity .

1) MOLECULAR MAGNETISM

2) BIO CATALYSIS

3) MOFs

4) SPINTRONICS

5) QM/MM Study of the Enzymatic Reaction Mechanism

  • Facebook

MMG | Department of Chemistry