351 research outputs found

    Application of the Exact Muffin-Tin Orbitals Theory: the Spherical Cell Approximation

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    We present a self-consistent electronic structure calculation method based on the {\it Exact Muffin-Tin Orbitals} (EMTO) Theory developed by O. K. Andersen, O. Jepsen and G. Krier (in {\it Lectures on Methods of Electronic Structure Calculations}, Ed. by V. Kumar, O.K. Andersen, A. Mookerjee, Word Scientific, 1994 pp. 63-124) and O. K. Andersen, C. Arcangeli, R. W. Tank, T. Saha-Dasgupta, G. Krier, O. Jepsen, and I. Dasgupta, (in {\it Mat. Res. Soc. Symp. Proc.} {\bf 491}, 1998 pp. 3-34). The EMTO Theory can be considered as an {\it improved screened} KKR (Korringa-Kohn-Rostoker) method which is able to treat large overlapping potential spheres. Within the present implementation of the EMTO Theory the one electron equations are solved exactly using the Green's function formalism, and the Poisson's equation is solved within the {\it Spherical Cell Approximation} (SCA). To demonstrate the accuracy of the SCA-EMTO method test calculations have been carried out.Comment: 20 pages, 10 figure

    SOME PROBLEMS OF STATIC ANALYSIS OF FOLDED PLATE STRUCTURES

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    Folded plate structures are extensively dealt with in the literature, but there are some neglected problems the solution of which the design engineer needs. In this paper are treated: the static behaviour of folded plate structures under partial vertical and under horizontal loads; static analysis of the extreme elements, of triangular plates loaded perpendicularly to their planes, and of plates subjected to in-plane concentrated forces; stability analysis of the plate elements

    REMOVAL OF AMMONIA WITH BIOLOGICAL PROCESS IN THE TREATMENT OF DRINKING WATER

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    More than 128 wells for drinking water purposes in Hungary have higher ammonia concentration than the limit required in the Hungarian Standard (MSZ) for water quality. The situation in the 'Alföld' region is particularly bad. The main cause of the change in the water quality derives from physicaL chemical and biological processes. The authors carried out several examinations during one and a half year in Csongrády Country, Hungary, to develop a water treatment process for small villages having similar problems. They examined the polluted ground water containing iron, manganese, ammonia and the substances which come to existence after airation, such as microbiological materials. The purpose of the investigation was to remove these contaminants mainly ammonia by physical and biological processes

    Log Fano varieties over function fields of curves

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    Consider a smooth log Fano variety over the function field of a curve. Suppose that the boundary has positive normal bundle. Choose an integral model over the curve. Then integral points are Zariski dense, after removing an explicit finite set of points on the base curve.Comment: 18 page

    Degree formula for connective K-theory

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    We apply the degree formula for connective KK-theory to study rational contractions of algebraic varieties. Examples include rationally connected varieties and complete intersections.Comment: 14 page

    Rational curves and bounds on the Picard number of Fano manifolds

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    We prove that Generalized Mukai Conjecture holds for Fano manifolds XX of pseudoindex iX(dimX+3)/3i_X \ge (\dim X +3)/3. We also give different proofs of the conjecture for Fano fourfolds and fivefolds.Comment: Modified the proof of the main theorem and eliminated a statement about the cone of curves. To appear in Geometriae Dedicat

    Mono- and double carbonylation of aryl iodides with amine nucleophiles in the presence of recyclable palladium catalysts immobilised on a supported dicationic ionic liquid phase

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    Silica modified with organic dicationic moieties proved to be an excellent support for palladium catalysts used in the aminocarbonylation of aryl iodides. By an appropriate choice of the reaction conditions, the same catalyst could be used for selective mono- or double carbonylations leading to amide and [small alpha]-ketoamide products, respectively. The best catalyst could be recycled for at least 10 consecutive runs with a loss of palladium below the detection limit. By the application of the new support, efficient catalyst recycling could be achieved under mild reaction conditions (under low pressure and in a short reaction time). Palladium-leaching data support a mechanism with dissolution-re-precipitation of the active palladium species
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