Publications of Shashank V. Rao

Rao, S. V.; Manganas, D.; Sivalingam, K.; Atanasov, M.; Neese, F. Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions. Inorganic Chemistry 2024, 63, 24672–24684.

Gupkta, S. K.; Rao, S. V.; Demeshko, S.; Dechert, S.; Bill, E.; Atanasov, M.; Neese, F.; Meyer, F. Air-Stable Four-Coordinate Cobalt(II) Single-Ion Magnets: Experimental and Ab Initio Ligand Field Analyses of Correlations between Dihedral Angles and Magnetic Anisotropy. Chemical Science 2023, 14, 6355–6374.

Bandemehr, J.; Atanasov, M.; Rao, S. V.; Neese, F.; Pietzonka, C.; Ivlev, S. I.; Kraus, F. Exchange Interactions and Magnetic Properties of a Molecular Mn₁₈-Ring Complex. Chemistry – A European Journal 2023, 29, e202203449.