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The dimerization energies of 2M2+ to give M42+ (M = S, Se) were calcd. as input into thermodn. Born-Fajans-Haber cycle calcns. to det. the relative stabilities of salts of these mono- and dications in the solid state. Computed dimerization energies showed ...
The structures of the KNb4O5F (I) (synthesized for the first time) and the NbO2 (II) phases formed together with NbO during decomposition of reduced oxofluoroniobate K2-xNb4O3(O,F)(3)F (III) in the (NaCl + KCl) melt are studied by X-ray methods. The tetrag ...
We present a detailed investigation, based on ensemble density functional theory simulations, of the microscopic mechanisms that accompany the sliding of grain boundaries in aluminum, a typical ductile metal. We find a variety of sliding behaviors, includi ...
Using a refocused INADEQUATE NMR experiment we show that homonuclear carbon-carbon through-bond correlations can be obtained in disordered organic solids where the line widths greatly exceed the value of the scalar coupling. The feasibility of the experime ...
Very recently, highly efficient biomimetic models of the mononuclear copper enzyme galactose oxidase were synthesized which are able to reproduce the structural, spectroscopic, and functional properties of the native system exceptionally well. We have char ...
We report transient sub-picosecond pump and probe experiments performed on a semiconductor microcavity into which quantum wells have been inserted. The cavity is featuring resonance and strong coupling with the exciton. It is strongly and resonantly excite ...
The application of a computer-assisted structure elucidation expert system, CISOC-SES, leading to the unequivocal 1H, 13C and NOE resonance assignment of betulinic acid, a biol. active triterpenoid with complicated NMR resonances, is described. The procedu ...
Experimental Al KL(23)V and Ni LMM Auger and high-resolution valence band XPS spectra of Al3Ni and AlNi3 alloys are presented and compared to the corresponding spectra of pure metals. The spectra are interpreted in terms of the results of the discrete-vari ...
In order to investigate the dramatic enhancement of the oxidation rate of semiconductor materials, promoted by an alkali-metal overlayer, we exposed a GaAs(110) surface covered by a monolayer of Cs to oxygen, observing the photoemission spectra of As 2p, G ...
