91 research outputs found

    Closed-shell interaction in silver and gold chlorides

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    Hartree-Fock and coupled-cluster calculations have been performed for cubic AgCl and for AuCl having a cubic or the observed structure with space group I4_1/amd. Cohesive energies and lattice constants are in excellent agreement with experiment for AgCl; for AuCl we find good agreement, and the experimental structure is correctly predicted to be lower in energy than the cubic one. Electron-correlation effects on lattice constants are very large, of up to 0.8 \AA for cubic AuCl. We especially discuss the strength of the closed-shell interactions, and for the first time a quantitative analysis of the so-called "aurophilic" Au(I)-Au(I) interaction is presented in solids.Comment: accepted by J. Chem. Phy

    Kälber

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    Auswirkungen des landwirtschaftlichen Erbrechts auf den agrarstrukturellen Wandel in Deutschland

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    The proclaimed aim of agricultural inheritance law in Germany and its preferential treatment of the farm successors is to maintain sustainable agricultural enterprises. To clarify this situation, this contribution exemplifies the financial assistance obtained through the legal situation and analyses a farm survey of about 1000 farms larger than 30 ha. As a result, it is noted that not only sustainable but also unsustainable farms are protected from division – an effect which causes delay in structural change. It is therefore suggested that the agricultural inheritance law be changed in such ways that only the so-called BGB land value law and the allocation rights included in the land trade laws are maintained. As a consequence, the incentive of the farm owner or his successor is required if special inheritance laws are to be implemented.Agricultural inheritance law, share in the inheritance, payments for retired farmers, structural change in agriculture, Agricultural and Food Policy, Community/Rural/Urban Development,

    Ground state properties of heavy alkali halides

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    We extend previous work on alkali halides by calculations for the heavy-atom species RbF, RbCl, LiBr, NaBr, KBr, RbBr, LiI, NaI, KI, and RbI. Relativistic effects are included by means of energy-consistent pseudopotentials, correlations are treated at the coupled-cluster level. A striking deficiency of the Hartree-Fock approach are lattice constants deviating by up to 7.5 % from experimental values which is reduced to a maximum error of 2.4 % by taking into account electron correlation. Besides, we provide ab-initio data for in-crystal polarizabilities and van der Waals coefficients.Comment: accepted by Phys. Rev.

    Monitoring of iron deficiency in calves by determination of serum ferritin in comparison with serum iron: A preliminary study

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    Background: Iron deficiency can cause anemia in calves and is therefore of economic importance for the cattle industry. Low iron levels are commonly caused by feeding whole milk without the addition of dietary supplements and led to the most frequent cause of anemia in calves. Other reasons for the development of anemia include congenital iron deficiency, malnutrition, bleeding ulcers or bloodsucking parasites. Aim: This study compared laboratory parameters that are commonly used to diagnose iron deficiency anemia in calves. Additionally, serum ferritin values were compared amongst calves fed different milk meals. Methods: For this purpose, blood samples from 40 calves were analyzed for different hematologic parameters as well as the content of copper, glutathione peroxidase, serum iron and serum ferritin. Results: Eight calves showed decreased hemoglobin and hematocrit values and a significantly lower number of erythrocytes compared with non-anemic calves. Interestingly, 19 of 40 calves had a low serum iron. Considering their serum ferritin levels, only fourteen calves, including six calves with both low iron and low ferritin levels, were classified as iron deficient. No direct correlation between serum ferritin and serum iron was detected. Comparing milk diets, more calves fed milk replacer showed reduced levels of ferritin compared with calves fed whole milk. Conclusion: Our data indicate that the determination of hemoglobin and serum iron is of limited suitability for the diagnosis of iron deficiency in calves. We suggest that the determination of serum ferritin should be the preferred parameter, since serum iron levels are subject to physiological fluctuation and a deficiency can be caused by inflammation or neoplastic diseases

    Bewegungsapparat

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