Targeted classification of metal-organic frameworks in the Cambridge structural database (CSD) - Moghadam, Peyman Z; Li, Aurelia; Liu, Xiao-Wei; Bueno-Perez, Rocio; Wang, Shu-Dong; Wiggin, Seth B; Wood, Peter A; Fairen-Jimenez, David (Chemical science (Cambridge), 2020)
Keywords: Algorithms; Chemistry; Chirality; Clusters; Computer simulation; Crystallography; Data centers; Exploration; Functional groups; Hydrogen storage; Metal-organic frameworks; Occupancy; Programming languages; Properties (attributes); Protocol (computers); Quality assessment; Queries; Room temperature; Set theory; Software; Subgroups; Surface chemistry