title: A computational method to characterize framework aluminum in aluminosilicates.
authors.affiliation: Departamento Sistemas Físicos, Químicos y Naturales, Universidad Pablo de Olavide, Ctra. Utrera km. 1, 41013 Sevilla, Spain.
authors.forename: Elena
authors.initials: E
authors.lastname: García-Pérez
authors.forename: David
authors.initials: D
authors.lastname: Dubbeldam
authors.forename: Bei
authors.initials: B
authors.lastname: Liu
authors.forename: Berend
authors.initials: B
authors.lastname: Smit
authors.forename: Sofía
authors.initials: S
authors.lastname: Calero
mesh_terms: D000535:Aluminum / Q000737:chemistry*; D000538:Aluminum Silicates / Q000737:chemistry*; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D008956:Models, Chemical; D008958:Models, Molecular; D011312:Pressure; D013696:Temperature
chemical_list: D000538:Aluminum Silicates; C049037:aluminosilicate; D000535:Aluminum