@article{paperid:1057225, author = {Kaviani, Sadegh and Izadyar, Mohammad and Housaindokht, Mohammad Reza}, title = {Solvent and spin state effects on molecular structure, IR spectra, binding energies and quantum chemical reactivity indices of deferiprone-ferric complex: DFT study}, journal = {Polyhedron}, year = {2016}, volume = {117}, number = {1}, month = {June}, issn = {0277-5387}, pages = {623--627}, numpages = {4}, keywords = {Deferiprone-ferric complex; Solvent effect; Spin state; Stability constant; Binding energy; Natural bond orbital; Reactivity indices.}, }