Periodic ab initio density functional calculations on ultrathin films of AlN, BeO, GaN, SiC,
ZnO, and ZnS demonstrate the stabilization of thicker films terminating with the polar {0001} …

The UK Government's Building a Greener Future: Policy Statement (2007) announced that all
new homes must be zero carbon from 2016. To date, a number of housing sites around the …

Many recent studies of ZnO thin film growth have highlighted a propensity for forming c-axis
aligned material, with the crystal morphology dominated by the polar {0001} surface. This is …

Neutral and especially dianionic 6- and 12-vertex closo ortho-carboranes (o-carboranes) 1,2-R
2 -1,2-C 2 B n H n (R = H, CH 3 , NH 2 , OH, F, SiH 3 , PH 2 , SH, Cl, as well as e - , CH 2 …

Spreading of sessile water droplets on a solid graphite surface has been studied using
atomistic molecular dynamics techniques. The system is in the partial wetting regime and a …

Molecular dynamics simulations were performed to study the behavior of nanoscale water
droplets at solid surfaces. Simulations of droplets on heterogeneous patterned surfaces show …

This paper reviews the annual energy and water performance of an aspiring low energy/carbon
affordable housing development in southern UK, comprising 25 houses heated by a …

We present results of molecular dynamics simulations of water droplets at pillar surfaces
comprised of sheets of carbon atoms. We examine variations in the contact angle with the …

The electronic structure of the series of perovskites A Mn O 3 (A= Ca, Sr, Ba) is examined
with the aid of density-functional calculations. A range of possible crystal structures is …

The complex nature of organizational culture challenges our ability to infer its underlying
dynamics from observational studies. Recent computational studies have adopted a distinctly …