Two-to-three dimensional transition in neutral gold clusters: the crucial role of van der Waals interactions and temperature

with the structure of this compound below 50 K. The neutron powder profile refinement method has been used to carry out this study. Equality of the CaF6 tilt angles

Overall, the relative improvement over the ensemble Kalman filter is comparable with the improvement reported for the localized nonlinear ensemble adjustment filter with

In conclusion, direct ab initio simulations reveal that vdW interactions explain the remarkable stability of polyalanine helices in vacuo up to high temperatures. We have

A higher number of shorter than vdW distance close contacts was observed within the monoclinic phase as compared to that for the cubic phase, underlining the increased

For a surprinsigly large number of spin configurations occuring in metal complexes where isotropic exchange interactions are dominant, it is possible to diagonalize the Hamiltonian

We demonstrate that the combination of nonlocal response due to phonons, leading to the smearing and renormalization of divergent short-range EM interactions, and the interactions

In contrast, on coinage metal surfaces the benzene molecule adsorbs almost flat (Fig. This qualitative difference in the equilibrium geometry between chemisorbed and physisorbed

— By using the macroscopic theory of van der Waals forces, the surface free energy of a nematic liquid crystal and the interfacial free energy of a nematic on a glass substrate