This paper discusses recent NQR/NMR studies performed on Y-Ba-Cu-0 superconductors at the University of Zürich. The work is concerned with normal state properties which are still controversial, for instance the spin-gap effect, i.e. the opening of a pseudo gap in the electron spin excitation spectrum at a temperature 7*, which lies above Tc. We will report on the detection of "anomalies" which ...

Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were ...

Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were ...

The NMR/NQR group has continued its general research plan of studying current problems of condensed matter physics by employing NMR (nuclear magnetic resonance) and NQR (nuclear quadrupole resonance) methods. These spectroscopies allow one to investigate electronic properties in solids at a microscopic level and thus provide an essential contribution for a better understanding of the materials ...

tyrosinase is a multifunctional copper-containing enzyme. it can catalyze two distinct reactions of melanin synthesis and benzaldehyde derivatives, which are potential tyrosinase inhibitors.  to find the relationships between charge distributions of benzaldehyde and their pharmaceutical behavior, the present study aimed at investigating nuclear quadrupole coupling constants of quadrupolare nucl...

adsorption of co2 on the surface of single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (swcnts) were studied through using density functional theory (dft) calculations. optimizations of geometric were performed at the b3pw91 level of 6-311++g** method standard basis set using gaussian 03 package of program [1]. structural models were optimized and adsorption energies, band gap, charge...