The structural and electronic properties of sheets and nanotubes of boron are investigated using density functional theory. The calculations predict the stability of a novel reconstructed {1221} sheet over the idealized triangular {1212} sheet. Nanotubes formed by wrapping the half-metallic {1221} sheet show a curvature-induced transition in their electronic properties. Analysis of the charge d...

The glossary contains de®nitions and explanatory notes for more than 450 terms used in the context of multidisciplinary research and publications related to applications of modern theoretical concepts, computational and graph-theoretical methods to investigation into structure, reactivity, spectroscopic and other physical and physicochemical properties of organic, organometallic and metal coord...

•Isolation of organometallic f-element bismuth cluster complexes•Heterometallocubane [Ln2Bi6] featuring two lanthanides bridged through a Bi66? unit•Single-molecule magnets containing donors•Magnetic hysteresis in superexchange-coupled lanthanide complexes Single-molecule are molecules that act as nanoscopic analogs to classical and have garnered substantial interest due their potential applica...