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The automatic generation of elastic-plastic stress fields (EPSF) for structural concrete members by means of the finite element method has been demonstrated as a suitable approach for the design and assessment of D regions. This methodology allows accounti ...
Polycrystalline ruby (alpha-Al2O3:Cr3+), a widely used pressure calibrant in high-pressure experiments, was compressed to 68.1 GPa at room temperature under non-hydrostatic conditions in a diamond anvil cell. Angle-dispersive X-ray diffraction experiments ...
The description of ground state charge-transfer complexes is highly challenging. Illustrative examples include large overestimations of charge-transfer by local and semi-local density functional approximations as well as inaccurate binding energies. It is ...
A series of novel lanthanide(III) complexes (Ln=Gd, Er, Yb) based on dendritic diphenylquinoxaline (DPQ) ligands was designed and synthesized with the aim of enhancing the luminescence intensity of Er3+ and Yb3+ ions for photonic applications. The diphenyl ...
We theoretically investigate the magnitude and range of the photon-mediated interaction between two quantum dots embedded in a photonic crystal waveguide, including fabrication disorder both in the crystal and in the dot positioning. We find that disorder- ...
The current interest in functionalized calixarenes with phosphorylated pendant arms resides in their coordination ability towards f elements and capability towards actinide/rare earth separation. Uranyl cation forms 1: 1 and 1: 2 (M : L) complexes with a t ...
Density functional approximations fail to provide an accurate treatment of weak interactions. More recent, but not readily available functionals can lead to significant improvements. A simple alternative to correct for the missing weak interactions is to a ...
In thermal equilibrium the ground state of the plasma of Standard Model particles is determined by temperature and exactly conserved combinations of baryon and lepton numbers. We show that at nonzero values of the global charges a translation invariant and ...
We introduce three assays for analyzing ligand-receptor interactions based on the specific conjugation of ligands to SNAP-tag fusion proteins. Conjugation of ligands to different SNAP-tag fusions permits the validation of suspected interactions in cell ext ...
The energy costs assocd. with large-scale industrial sepn. of light hydrocarbons by cryogenic distn. could potentially be lowered through development of selective solid adsorbents that operate at higher temps. Here, the metal-org. framework Fe2(dobdc) (dob ...
