Axially symmetric rotating body consisting of a perfect fluid

An alternative method of obtaining the equilibrium configurations of a rotating body consisting of a perfect fluid is outlined. Basically, the method involves recasting the gravitational hydrodynamic equations into a set of partial differential equations of first order in the radial direction such that a center-outward integration can be performed. Specifically, with suitable initial conditions at the origin of anr, grid, a numerical integration is performed outward along a number of selected-rays, with the required derivatives at each step being determined numerically from the values of the functions on the different rays. Applicable to both Newtonian and relativistic formulations, the technique is similar to that often used to obtain equilibrium configurations in spherically symmetric models.     

Initial oxidation and hydroxylation of the Ge(100)-2 x 1 surface by water and hydrogen peroxide

We use density functional theory to investigate the surface chemistry of initial oxidation and hydroxylation of the Ge(100)-2 x 1 surface by water and hydrogen peroxide. Comparison of the reaction of water on the Si(100)-2 x 1 and Ge(100)-2 x 1 surfaces shows that the kinetics of oxidation of the Ge(100)-2 x 1 surface with water is slower. Our calculations also show that oxidation products on the Ge(100)-2 x 1 surface are less thermodynamically stable than on Si. We also investigate two competing dissociation reactions of H2O2 on the Ge(100)-2 x 1 surface. We find that dissociative adsorption via cleavage of the OH bond is less exothermic than OO dissociation. Furthermore, interdimer OO dissociation has a lower activation barrier than interdimer or intradimer OH dissociation, although interdimer dissociation products are found to be less stable compared than those formed from intradimer dissociation reactions. Finally, we find that the oxidation products formed from hydrogen peroxide are more stable than those formed from water.     

Dynamics of the local moment induced by nonmagnetic defects in cuprates

We present a study of the spin dynamics of magnetic defects induced by Li substitution of the plane Cu in the normal state of YBa2Cu3O6+x. The fluctuations of the coupled Cu magnetic moments in the vicinity of Li are probed by near-neighbor 89Y and 7Li NMR spin lattice relaxation. The data indicate that the magnetic perturbation fluctuates as a single entity with a correlation time tau which scales with the local static susceptibility. This behavior is reminiscent of the low T Kondo state of magnetic impurities in conventional metals. Surprisingly it extends well above the "Kondo" temperature for the underdoped pseudogapped case.     

Ionic radii for Group 1 halide crystals and ion-pairs

Internuclear separations calculated from empirical soft-sphere radii for seventeen crystalline Group 1 halides with rock-salt structures and from empirical hovering-sphere radii for fourteen gaseous Group 1 halide ion-pairs agree well with experimental measurements. Two lithium and four fluoride ion-pairs appear to be anomalous. Soft-sphere ionic radii are compared with atomic radii of noble gases.     

Ueber die Bestimmung des Gerbstoffs in Gerbstoffmaterialien

Ohne Zusammenfassung     

Competition and selectivity of organic reactions on semiconductor surfaces: reaction of unsaturated ketones on Si(100)-2 x 1 and Ge(100)-2 x 1

A combined experimental and theoretical study of a model system of multifunctional unsaturated ketones, including ethyl vinyl ketone (EVK), 2-cyclohexen-1-one, and 5-hexen-2-one, on the Si(100)-2 x 1 and Ge(100)-2 x 1 surfaces was performed in order to probe the factors controlling the competition and selectivity of organic reactions on clean semiconductor surfaces. Multiple internal reflection infrared spectroscopy data and density functional theory calculations indicate that EVK and 2-cyclohexen-1-one undergo selective [4 + 2] hetero-Diels-Alder and [4 + 2] trans cycloaddition reactions on the Ge(100)-2 x 1 surface at room temperature. In contrast, on the Si(100)-2 x 1 surface, evidence is seen for significant ene and possibly [2 + 2] C=O cycloaddition side products. The greater selectivity of these compounds on Ge(100) versus Si(100) is explained by differences between the two surfaces in both thermodynamic factors and kinetic factors. With 5-hexen-2-one, for which [4 + 2] cycloaddition is not possible, a small [2 + 2] C=C cycloaddition product is observed on Ge(100) and possibly Si(100), even though the [2 + 2] C=C transition state is calculated to be the highest barrier reaction by several kilocalories per mole. The results suggest that, due to the high reactivity of clean semiconductor surfaces, thermodynamic selectivity and control will play important roles in their selective functionalization, favoring the use of Ge for selective attachment of multifunctional organics.