Spectroscopic constants, including dissociation energies, harmonic and anharmonic vibrational frequencies, and dipole moments, are calculated for the complete alkali auride series (LiAu, NaAu, KAu, RbAu, CsAu). The four-component formulation of relativistic density functional theory has been employed in this study, using the G-spinor basis sets implemented recently in the program BERTHA. The pe...

Distribution of electrolyte ions near the surface of water or ice is a subject of interest in both fundamental chemistry and atmospheric chemistry of sea-salt aerosols and ice particles. The ion distribution at the surface of these particles may affect their reaction with ozone and organic species in the troposphere and the generation of reactive halogen species. 2] In early studies, the surfac...

The D/H ratios of hydrogen gas in equilibrium with aqueous alkali halide solutions were determined at 25 °C, using a hydrophobic platinum catalyst. The hydrogen isotope effect between the solution and pure water changes linearly with the molality of the solution at low concentrations, but deviates from this linearity at higher concentration for all alkali halide solutions. The magnitude of the ...

Measurements have been made on intrinsic optical bulk breakdown in ten alkali halides at 1.06 microm and in one at 0.69 microm. By comparing the results to previously reported experiments conducted at 10.6 microm and at direct current, it has been possible to identify the damage mechanism as electron avalanche breakdown. Self-focusing has been controlled by restricting the probe powers to well ...

The chemical procedure was formerly achieved by the preliminary formation of aryl-lithium reagents followed by transmetallation with zinc halides. Nevertheless, this method is not easily achieved with aryl compounds bearing reactive functional groups such as ketone, nitrile or ester, since very low reaction temperatures are required. Alternatively, the Rieke method, which uses activated zinc ob...

Discrete breathers that arise in doped alkali halides lead us to study two properties of these localized excitations. First, we note a bifurcation phenomenon, which we dub torus doubling, in which resonant coupling in the nonlinear modes induces a period doubling of the phase space structure. Second, we find that although two-frequency breather excitations are not in principle localized (becaus...

— CdF2 samples provided with different kinds of electrodes and insulations are investigated. It is found that, due to an electron injection which cannot be avoided, metal particles are formed below the surface which act as a kind of « reversible dendritic electrode »; that the cations are discharged by segregation there and/or at the external cathode; that the two known space-charge formation T...

A single component hard sphere description molten halides and nitrates, applied to self-diffusion and viscosity data, has led to a hard sphere size which for a given cation depends linearly upon the anionic radius. This correlation has been used to predict viscosity coefficients of fused alkali fluorides and to estimate the effective size of the N03~-anion in molten nitrates. The Stokes-Einstei...