• Main Group Chemistry and Molecular Magnetism

M.sc Students

Name: Aastha Kochhar
Roll No: CY21C027
Phone No: 9115184141
Email: cy21c001@smail.iitm.ac.in, aasthakochhar@gmail.com
Field of work: Research - theoretical studies of modelled 3d metal complexes for N2 activation using computational techniques.
Name: Avani Sahu
Roll No: CY21C010
Phone No: 7982307753
Email: cy21c010@smail.iitm.ac.in, avanisahu18@gmail.com
Field of work: Theoretical study on 3-d metal complexes (Vanadium, Manganese and Cobalt) for N2 activation which have been studied under computational methods such as NBO, QTAIM, and EDA-NOCV at the BP86-D3(BJ)/def2TZVPP level of theory.
Name: Kratika Raghuvanshi
Roll No: CY21C027
Phone No: 9174903602
Email: cy21c027@smail.iitm.ac.in
Field of work: Theoretical studies of 3d metal based modelled complexes for N2 activation.
Name: Sonia
Roll No: CY21C058
Phone No: 9174903602
Email: cy21c058@smail.iitm.ac.in
Field of work: Computational study of Dinitrogen Binding Relevant to FeMoco of Nitrogenase: Clear Visualization of σ-Donation and π-Backdonation from Deformation Electron Densities around Carbon-metal (M=Mn, Fe, Ni, Co) Site.