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A DFT-based method is presented which allows the computation of all-electron NMR shifts of metallic compounds with periodic boundary conditions. NMR shifts in metals measure two competing physical phenomena. Electrons interact with the applied magnetic fie ...
The enhancement of the spin-lattice relaxation rate for nuclear spins in a ligand bound to a paramagnetic metal ion [known as the paramagnetic relaxation enhancement (PRE)] arises primarily through the dipole-dipole (DD) interaction between the nuclear spi ...
A semi-empirical potential for ferromagnetic bcc iron that also models the co-linear magnetic moment of each atom, has been applied to clusters and surfaces. Surface energies of low index facets, surface relaxation and magnetic moment are calculated and co ...
The populations of long-lived spin states, in particular, populations of singlet states that are comprised of antisymmetric combinations of product states, ∣αIβS⟩−∣βIαS⟩, are characterized by very long lifetimes because the dipole-dipole interaction betwee ...
Bulk magnetism in solids is fundamentally quantum mechanical in nature. Yet in many situations, including our everyday encounters with magnetic materials, quantum effects are masked, and it often suffices to think of magnetism in terms of the interaction b ...
We applied first principles molecular dynamics (MD) technique to study structure, dynamics, and magnetic interactions of the Gd3+ aqua ion dissolved in liquid water, a prototypical system for Gd-based complexes used as contrast agents for magnetic res ...
Within the framework of the European Fusion Programme (EFDA) a design activity has been started in late 2004 by the EFDA Close Support Unit at Garching (FRG) to design a 12.5 T superconducting dipole magnet. The final goal of this activity is to define a " ...
Background In the literature, several different transfer matrices have been presented for deriving the vectorcardiogram (VCG) from the signals observed using a limited set of electrodes. Even when the electrode locations were identical, like 9 of the stand ...
In the scope of the design activities for a 12.5 T dipole magnet, a short length of cable-in-conduit conductor (CICC) with steel jacket was prepared in spring 2005 as a pre-prototype of the high field dipole conductor. The small, rectangular conductor uses ...
Five novel perylene mols. with different intramol. charge-transfer (ICT) characters have been synthesized. The relation between the ICT character for different donating groups and the results for their electro- and photochem. properties as well as their pe ...