We study the mutual interactions of simple parallel polymers within the framework of density-functional theory (DFT). As the conventional implementations of DFT do not treat the long-range dispersion [van der Waals (vdW)] interactions, we develop a systematic correction scheme for the nonlocal energy contribution of the polymer interaction at the intermediate to the asymptotic separations. We p...

Van der Waals (vdW) interaction, and its subtle interplay with chemically specific interactions and surface roughness at metal/organic interfaces, is critical to the understanding of structure-function relations in diverse areas, including catalysis, molecular electronics and self-assembly. However, vdW interactions remain challenging to characterize directly at the fundamental, single-molecule...

Lucy A. Weinert, Roy R. Chaudhuri, Jinhong Wang, Sarah E. Peters, Jukka Corander, Thibaut Jombart, Abiyad Baig, Kate J. Howell, Minna Vehkala, Niko Välimäki, David Harris, Tran Thi Bich Chieu, Nguyen Van Vinh Chau, James Campbell, Constance Schultsz, Julian Parkhill, Stephen D. Bentley, Paul R. Langford, Andrew N. Rycroft, Brendan W. Wren, Jeremy Farrar, Stephen Baker, Ngo Thi Hoa, Matthew T.G....

Speech development in young children has been studied quite often in a linsi:uistic (mainly phonological) way, with respect to the production and perception ability of infants and young children (Menyuk:,1971;Locke,1983;Ferguson,1986;Jusczyk,1986). Development of children's speech and their acoustic-phonetic correlates, however, are still considered as an area of research in which many aspects ...

After van Creveld (1928) had given the first clinical description of a child with glycogenosis and suggested that the primary cause could be a disorder of glycogen metabolism, this hypothesis was confirmed. Six types have already been described, each of which show a different enzyme defect and a different clinical picture. By means of a simplified scheme of glycogen synthesis and breakdown, the...

After van Creveld (1928) had given the first clinical description of a child with glycogenosis and suggested that the primary cause could be a disorder of glycogen metabolism, this hypothesis was confirmed. Six types have already been described, each of which show a different enzyme defect and a different clinical picture. By means of a simplified scheme of glycogen synthesis and breakdown, the...

rancesca Poli a,2, Sebastiaan Overeemb,∗,2, Gert Jan Lammersc,2, Giuseppe Plazzia,2, ichel Lecendreuxd,2, Claudio L. Bassetti e,1,2, Yves Dauvilliers f,1,2, Daniel Keeneg,1,2, amin Khatamih,1,2, Yulin Li i,j,1,2, Geert Mayerk,1,2, Hanna Nohynekl,1,2, Barbara Pahudm,1,2, eresa Paivan,1,2, Markku Partineno,1,2, Thomas E. Scammellp,1,2, Tom Shimabukuroq,1,2, iriam Sturkenboomr,1,2, Kristy van Dint...

van der Waals (vdW) forces, despite being relatively weak, hold the layers together in transition metal dichalcogenides (TMDs) and play a key role in their band structure evolution, hence profoundly affecting their physical properties. In this work, we experimentally probe the vdW interactions in MoS2 and other TMDs by measuring the valence band maximum (VBM) splitting (Δ) at K point as a funct...

A recent extensive study has investigated how various exchange-correlation (XC) functionals treat hydrogen bonds in water hexamers and has shown traditional generalized gradient approximation and hybrid functionals used in density-functional (DF) theory to give the wrong dissociation-energy trend of low-lying isomers and van der Waals (vdW) dispersion forces to give key contributions to the dis...