Chlorine ligands in a variety of diamagnetic transition-metal (TM) complexes in common structural motifs were studied using (35)Cl solid-state NMR (SSNMR), and insight into the origin of the observed (35)Cl NMR parameters was gained through first-principles density functional theory (DFT) calculations. The WURST-CPMG pulse sequence and the variable-offset cumulative spectrum (VOCS) methods were...

The nuclear quadrupole resonance (NQR) spectrum of strontium doped La2CuO4 surprisingly resembles the NQR spectrum of La2CuO4 doped with excess oxygen, both spectra being dominated by a main peak and one principal satellite peak at similar frequencies. Using first-principles cluster calculations this is investigated here by calculating the electric field gradient (EFG) at the central copper sit...

The electric-field gradient (EFG) at nuclei in solids is a sensitive probe of the charge distribution. Experimental data, which previously only existed insulators, have been available for metals with development nuclear measuring techniques since about 1970. An early, systematic investigation temperature dependence EFG metals, originally based on results Cd, but then also extended to various ot...

The EFG-tensor at the position of the Fe-atom of CO-liganded sperm whale myoglobin has been investigated by nuclear gamma-resonance absorption experiments on single crystals. In addition the temperature dependence of the quadrupole splitting of the 14.4 keV level of the iron nucleus was measured. An unambiguous solution for the magnitude and the orientation of the field gradient tensor could on...

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The aim of this study was to verify the association between the epidermal growth factor (EGF) +61 G/A polymorphism and the susceptibility to endometriosis using a case-control design study. The control group included fertile women without endometriosis and the case group included endometriosis patients. Polymerase chain reaction-restriction fragment length polymorphism analysis was used to geno...

A theory of the quadrupolar relaxation rate, R q , for ideal liquid binary metallic mixtures is presented. The theory predicts cancellation after a few tenths o f a picosecond o f the two and three particle correlation terms in the fluctuation o f the electric field gradient (EFG) for pure metals, and prevailing o f the three particle term for binary mixtures. This is due to the high symmetry i...

We investigate the 105K structural phase transition in SrTiO3 using depth controlled measurements of the spin relaxation of Li. The measurements were performed in zero external magnetic field and rely on the local electric field gradient (EFG) at the crystalline implantation site of the Li (I = 2) to hold the nuclear polarization. The tetragonal distortion accompanying the phase transition modi...

We propose a shape optimization method over a fixed grid. Nodes at the intersection with the fixed grid lines track the domain’s boundary. These “floating” boundary nodes are the only ones that can move/appear/disappear in the optimization process. The element-free Galerkin (EFG) method, used for the analysis problem, provides a simple way to create these nodes. The fixed grid (FG) defines inte...

The development of local buckling in the web-post and the compressive regions around the openings of cellular beams is often a critical design consideration. The current buckling assessment of such scenario is still based on simplified models, which are calibrated against detailed finite element models only for specific geometries including layout and range of dimensions, Moreover, the direct u...