title: A unique self-assembled (H2O)16 water cluster in an inorganic crystal host.
abstract: The study by DFT and molecular mechanics calculations on the unique (H(2)O)(16) water cluster encapsulated in the large 6(8)12(6) cavity of the germanate JLG-5 provides more insight into the formation, as well as the role of water clusters in the inorganic crystal host.
authors.affiliation: State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012, PR China.
authors.forename: Jiyang
authors.initials: J
authors.lastname: Li
authors.forename: Jihong
authors.initials: J
authors.lastname: Yu
authors.forename: Ruren
authors.initials: R
authors.lastname: Xu