@article{Carissan2016, author = "Yannick Carissan and Jean-Louis Heully and Fabienne Alary and Jean-Pierre Daudey", title = "{Calculation of the Ground and Excited States of a Mixed Valence Compound [Fe2(OH)3(NH3)6]2+:  A Class II or Class III Compound?}", year = "2016", month = "5", url = "https://acs.figshare.com/articles/dataset/Calculation_of_the_Ground_and_Excited_States_of_a_Mixed_Valence_Compound_Fe_sub_2_sub_OH_sub_3_sub_NH_sub_3_sub_sub_6_sub_sup_2_sup_A_Class_II_or_Class_III_Compound_/3349072", doi = "10.1021/ic034716h.s003" }