Sent to CCL by: Anselm Horn [Anselm.Horn.-,-.chemie.uni-erlangen.de] Hi, maybe you want to have a look into the book of Comba, Hambley & Martin ("Molecular modeling of inorganic compounds", 3rd ed. 2009, Wiley-VCH) to obtain some suggestions about your topic of interest. Regards, Anselm Horn