Abstract:Water
is a basic resource and an essential component of living
organisms. It often exhibits some novel properties under confinement.
The water clusters (H2O)
n
(n = 4–8) confined in the cavity of uranyl peroxide
cluster Na20(UO2)20(O2)30 (U20) have been computationally investigated
by using ab initio molecular dynamics (AIMD) simulations
and density functional theory (DFT) calculations in this study. The
results show that the confined water clusters can form hydrogen bonds
with the internal oxygen atoms (Oura… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.