Electronic structure of Sc2AC (A=Al, Ga, In, Tl)

Using ab initio calculations, we have studied Sc₂AC with A=Al, Ga, In and Tl. We show that C 2p and Sc 3d as well as A p and Sc 3d states are hybridized, but the antibonding states in the vicinity of the Fermi level weaken the overall bonding. In terms of the chemical bonding, the influence of the size of the A element is minute. Furthermore, the bulk modulus of the corresponding binary transition metal carbide is not conserved in these phases. Therefore, Sc₂AC can be classified as weakly coupled MAX phases according to Sun and co-workers [Z. Sun, D. Music, R. Ahuja, S. Li, J.M. Schneider, Phys. Rev. B 70 (2004) 092102]. It is our ambition that these calculations will stimulate experimental research on these compounds.     

Geometric separation and exact solutions for the parameterized independent set problem on disk graphs

We consider the parameterized problem, whether for a given set  of n disks (of bounded radius ratio) in the Euclidean plane there exists a set of k non-intersecting disks. For this problem, we expose an algorithm running in time that is—to our knowledge—the first algorithm with running time bounded by an exponential with a sublinear exponent. For λ-precision disk graphs of bounded radius ratio, we show that the problem is fixed parameter tractable with a running time  . The results are based on problem kernelization and a new “geometric ( -separator) theorem” which holds for all disk graphs of bounded radius ratio. The presented algorithm then performs, in a first step, a “geometric problem kernelization” and, in a second step, uses divide-and-conquer based on our new “geometric separator theorem.”     

The opacity coefficient method—nongray determination of inhomogeneous atmospheric extinction

The computation of radiation transmittance in nongray, inhomogeneous atmospheric models is frequently complicated by complex bands of line spectra which range in value over many orders of magnitudes and depend strongly on either or both of pressure and temperature. We present here a new opacity sampling technique which is shown to determine correctly the wavelength-averaged extinction due to path-dependent realizations of banded line spectra. The technique is easy to implement computationally and is applicable to a wide variety of atmospheric problems in which frequent iteration of the radiative transfer model is required. We consider two such instances: modeling of solar flux attenuation for use in a time-dependent planetary ionosphere model and retrieval from nadir measurements of backscattered solar irradiance. The power of the new method lies in its straightforward analytical treatment of both atmospheric inhomogeneity and spectral complexity. It is thus relevant for both retrieval and radiative transfer modeling purposes.     

CHLORINATION OF ISOLATED CHLOROPHYLLS in vitro

Abstract— It was shown that chlorophyll a and its epimer chlorophyll a' are chlorinated and hydroxyl-ated during thin layer chromatography with silica gel plates. Hydroxylated chlorophyll a could not be chlorinated. Chlorinated and non chlorinated chlorophylls could be separated and determined by high performance liquid chromatography, because chlorophylls do not alter during this procedure. These findings support the assumption that Chi RC I is a preparation artifact. The extent of chlorination depends on chloride availability on the thin layer and on time. Chlorination and hydroyxlation do not take place under nitrogen atmosphere. The mechanism of chlorination during the thin layer chromatography procedure is discussed.