A unique self-assembled (H2O)16 water cluster in an inorganic crystal host.
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.
Li
Jiyang
J
State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012, PR China.
Yu
Jihong
J
Xu
Ruren
R