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In the title compound, {[Cd(C(10)H(8)O(4))(H(2)O)(3)]·2H(2)O}(n), penta-gonal-bipyramidally coordinated Cd(II) ions on a twofold rotation axis are linked by tethering 1,4-phenyl-enediacetate (1,4-phda) ligands into [Cd(1,4-phda)(H(2)O)(3)](n) coordination polymer chains. The chain motifs are oriented parallel to the c-axis direction. Individual chains are connected into a supra-molecular networ...
In the title complex, [Pb(C(9)H(11)NO(2))(2)(NO(3))(H(2)O)(2)]NO(3), the cation is a monomeric species including zwitterionic amino-acids. In both zwitterions, rotation of the NH(3) (+) groups about their C-N bonds is blocked by inter-molecular N-H⋯O hydrogen bonds. Assuming a limit for Pb-O bond lengths of 3 Å, the Pb(II) ion is coordinated by eight O atoms. Each phenyl-alaninate ligand coordi...
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This article is an introduction to the L~-cohomology of arithmetic symmetric spaces. We shall describe properties of automorphic representations which lead to a remarkable interplay among Hodge structures, Lefschetz structures, and Hecke operators. In order to make the discussion slightly more concrete, we shall focus on the special case of Siegel moduli space. Resume. Cet article est une intro...
The title complex, [Mn(NCS)(2)(C(13)H(19)NO(4))] {systematic name: [3,6,9,12-tetra-oxa-18-aza-bicyclo-[12.3.1]octa-cosa-14(18),15,17-triene-κ(5)N,O,O',O'',O''']bis-(thio-cyanato-κN)manganese(I-I)}, was obtained by the reaction of MnCl(2)·4H(2)O and NaSCN with pyridino-15-crown-5. The Mn(2+) center has a distorted penta-gonal bipyramidal coordination geometry, coordinated by four O atoms and one...
The title compound, [Zn(C(14)H(8)N(2)O(4))(H(2)O)(2)](n), consists of zigzag chains of Zn atoms bridged by azobenzene-4,4'-dicarboxyl-ate ligands. The Zn(II) atom, lying on a twofold rotation axis, is coordinated by four O atoms from the carboxyl-ate groups and two water mol-ecules, giving rise to a considerably distorted octa-hedral coordination envionment. The ligand lies on an inversion cent...
در این بررسی، جذب سطحی اکسیژن بر روی سطح Ni(111) در آرایش سطحی p(2×2) با کسر پوششی 0.25 ML با استفاده از روش DFT مورد بررسی قرار گرفت. ابتدا محاسبات بهینه سازی ساختاری انجام یافت و طول پیوند تعادلی Ni-O و فاصله اتم O از سطح بترتیب برابر 1.87 Å و 1.17 Å بدست آمد. سپس با تغییر مختصات اتم O بصورت استاتیک حول نقطه تعادلی و تطابق تغییرات انرژی حاصل با مدلهای نوسانگر هماهنگ و مورس، فرکانسهای ارتعاشی ...
Parallel I/O systems are gaining popularity as a means for providing scalable high bandwidth I/O. In this paper we develop abstract models of parallel I/O systems and provide empirical results that show how I/O intensive applications interact with the elements of parallel I/O systems. The abstract models are useful for explaining parallel I/O performance to developers of applications requiring ...
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