Porosity calculation software

Our research group use a porosity calculation software that estimates the potential porosity of a crystalline structure. The software was created in our group, based on an algorithm written by Connolly (more info).



Daiguebonne, C.; Kerbellec, N.; Bernot, K.; Gérault, Y.; Deluzet, A.; Guillou, O., Synthesis, Crystal Structure, and Porosity Estimation of Hydrated Erbium Terephthalate Coordination Polymers. Inorganic Chemistry 2006, 45 (14), 5399-5406

Guillou, O.; Daiguebonne, C.; Camara, M.; Kerbellec, N., New 3-D La(III)−Cu(II)-Containing Coordination Polymer with a High Potential Porosity. Inorganic Chemistry 2006, 45 (21), 8468-8470

Qiu, Y.; Daiguebonne, C.; Liu, J.; Zeng, R.; Kerbellec, N.; Deng, H.; Guillou, O., Four three-dimensional lanthanide coordination polymer constructed from benzene-1,4-dioxydiacetic acid. Inorganica Chimica Acta 2007, 360 (10), 3265-3271

Deng, H.; Qiu, Y.; Daiguebonne, C.; Kerbellec, N.; Guillou, O.; Zeller, M.; Batten, S. R., Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide. Inorganic Chemistry 2008, 47 (13), 5866-5872

Kerbellec, N.; Daiguebonne, C.; Bernot, K.; Guillou, O.; Le Guillou, X., New lanthanide based coordination polymers with high potential porosity. Journal of Alloys and Compounds 2008, 451 (1–2), 377-383

Kustaryono, D.; Kerbellec, N.; Calvez, G.; Freslon, S.; Daiguebonne, C.; Guillou, O., New Family of Porous Lanthanide-Containing Coordination Polymers: [Ln2(C2O4)3(H2O)6,12H2O] with Ln = La-Yb or Y. Crystal Growth & Design 2010, 10 (2), 775-781