We evaluate the performance of different van der Waals (vdW) corrected density functional theory (DFT) methods in predicting the structure of perfect interfaces between the LiF(001), MgO(001), NiO(001) films on the Ag(001) surface and the resulting work function shift of Ag(001). The results demonstrate that including the van der Waals interaction is important for obtaining accurate interface s...

A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers-Chalmers van der Waals density functional (vdW-DF) are presented with the aim of giving a historical perspective, while also emphasizing more recent efforts which have sought to i...

Unusually long bonds or short intermolecular contacts occur in the title compounds reminiscent of pancake bonding. Pancake bonding interactions seem analogous to π-stacking interactions, but they display much shorter contact distances than normally seen in van der Waals (vdW) dimers. The interpretation of these SN and SeN containing structures has been an outstanding challenge for some time. Th...

Two male siblings aged 12 and 15 years (Figure 1) presented with growth retardation, limb abnormalities and, defective teeth and nail since childhood. There was no history of similar defects in other family members. On examination their height was 114 cm and 130 cm (expected height; 169 cm and 150 cm) respectively. There were hypoplastic and dystrophic nails, and microdontia and hypodontia on d...

Formation of self-assembled chains of tetrathiafulvalene (TTF) on the Cu(100) surface has been investigated by scanning tunneling microscopy and density functional theory calculations that include semiempirical van der Waals (vdW) interaction corrections. The calculations show that the chain structures observed in the experiments can only be explained by including the vdW interactions. The mole...

J Bone Joint Surg [Br] 2009;91-B:138-40. To be asked “Do you think that the ABC Fellowship has a future?” at the interview was something of a surprise. The initial response was “Well, I hope so, given that we are looking at giving it six weeks away from home.” You wouldn’t want to waste your effort on something that has had it’s time, now would you? There was, of course, serious intent in the q...

The status of mood-congruent free recall bias in anxious individuals was evaluated following incidental encoding of target words. Individuals with high and low levels of trait anxiety completed a modified Stroop task, which revealed an attentional bias for threat-related stimuli in anxious individuals. This group was significantly slower in naming the colour in which threat-related words were d...

Jiyang Wang,1 Yejun Feng,1,2,* R. Jaramillo,3 Jasper van Wezel,4 P. C. Canfield,5 and T. F. Rosenbaum1 1The James Franck Institute and Department of Physics, The University of Chicago, Chicago, Illinois 60637, USA 2The Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA 3School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 01238,...

my privilege to enjoy with the eminent Utrecht Professor, Iieer J. L. C. Schroeder van der Kolk, in reference to an important physiological work of his, which I have translated and edited for the New Sydenham Society, the author was good enough to send me, with some other minor essays, a copy of a dissertation read by him before the Physical Society of Utrecht, at one of the meetings to which l...

The most recent H1 and ZEUS data for diffractive structure functions are analyzed under three different theoretical approaches. This includes the Pomeron Structure Function (PSF) framework, Bartels-Ellis-Kowalski-Wüsthoff (BEKW) color dipole approach and the Golec-Biernat-Wüsthoff (GBW) saturation model. The models are shown to successfully fit the set of combined data. Conceptual differences b...