We are a group of people working in different areas of computational Inorganic chemistry, belonging to the Molecular Modelling Group (MMG) at the department of Chemistry, IITB. We are all fascinated by how computational tools aid in understanding the structure and reactivity of open-shell systems possessing one or more unpaired electrons. When one think about unpaired electrons, its magnetic properties pops up, thus we have a long standing interest in utilizing computational tools to understand magnetic properties of molecular nano magnets. Secondly, how these molecules assemble themselves in surfaces such Au(111) is also of interest in our group. Besides magnetic properties, these unpaired electron also diversify the reactivity in catalytic transformation. This topic of understanding the reaction mechanism of such systems is also of interest to our group.
Conference organised by us :
STCC-FC (2013, Trichy, Tamilnadu) see details