title: The prediction of inorganic crystal framework structures using excluded regions within a genetic algorithm approach.
abstract: We have developed a new technique, which is complementary to other procedures, that will have wide applicability for generating new feasible framework structures with defined microporous architectures from the knowledge of only the unit cell dimensions, constituent elements and by defining forbidden regions within the unit cell.
authors.affiliation: Davy-Faraday Research Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London, UKW1S 4BS. smw@ri.ac.uk
authors.forename: Scott M
authors.initials: SM
authors.lastname: Woodley
authors.forename: C Richard A
authors.initials: CR
authors.lastname: Catlow
authors.forename: Peter D
authors.initials: PD
authors.lastname: Battle
authors.forename: Julian D
authors.initials: JD
authors.lastname: Gale
mesh_terms: D000465:Algorithms; D003461:Crystallography; D008957:Models, Genetic; D008958:Models, Molecular; D017641:Zeolites / Q000737:chemistry
chemical_list: D017641:Zeolites