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61.
Malcolm A. Halcrow Colin A. Kilner Mark Thornton‐Pett 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1425-1426
The title compound, [Zn(C29H29N5)2](ClO4)2·2CH3NO2, contains a ZnII ion showing only small deviations from local D2d symmetry. The lower rhombicity exhibited by this complex compared with that of its CuII congener suggests that the highly rhombic stereochemistry exhibited by the latter is largely imposed by the stereoelectronic preferences of the CuII ion. 相似文献
62.
Jesús A. De Loera Bernd Sturmfels Cynthia Vinzant 《Foundations of Computational Mathematics》2012,12(4):509-540
The central curve of a linear program is an algebraic curve specified by linear and quadratic constraints arising from complementary slackness. It is the union of the various central paths for minimizing or maximizing the cost function over any region in the associated hyperplane arrangement. We determine the degree, arithmetic genus and defining prime ideal of the central curve, thereby answering a question of Bayer and Lagarias. These invariants, along with the degree of the Gauss image of the curve, are expressed in terms of the matroid of the input matrix. Extending work of Dedieu, Malajovich and Shub, this yields an instance-specific bound on the total curvature of the central path, a quantity relevant for interior-point methods. The global geometry of central curves is studied in detail. 相似文献
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The infrared spectra (700–150 cm?1) of twenty-six complexes of 2-aminomethylpyridine (amp) with first transition series metal(II) ions are discussed. The complexes include the tris(amp) complexes [M(amp)3]2+ the bis(amp) compounds M(amp)2X2 and the mono(amp) complexes M(amp)X2. Assignments of the NH2 rocking modes, v(M-NH2), v(M-py) and ligand modes are based on the effects of isotopic labelling of the amino group and the effects of substitution of the metal ion and halide. The structural implications of the spectra are discussed. 相似文献
66.
Ignatius J. Turchi Cynthia A. Maryanoff Antonietta R. Mastrocola 《Journal of heterocyclic chemistry》1980,17(7):1593-1595
Heating primary or secondary α-amino acids in acetic anhydride in the presence of 1,2-dicyanocyclobutene leads to 4,5-dihydroazepines via the intermediacy of mesoionic oxazolium 5-oxides. 相似文献
67.
Cynthia Whitney 《Journal of Quantitative Spectroscopy & Radiative Transfer》1974,14(7):591-611
This paper discusses a new, computationally-efficient method for approximating the integro-differential equation of radiative transfer with a finite set of coupled differential equations for discrete streams. The method uses recommended spatial distributions of streams that are quite different from those typically used in that they are based on the symmetry of several regular Platonic solids. To facilitate the use of such distributions, an explicit, one- parameter relationship between the physical radiance and the abstract stream is formulated. The parameter is used to determine the minimum number of streams required in the radiative transfer model. Accuracy and computational efficiency are shown to be served best by choosing a stream distribution that is invariant to a large number of three space rotations. For various values of the above-mentioned parameter, the resulting recommended stream distribution is shown to be more computationally efficient than more conventional stream distributions. Finally, the incorporation of polarization in the stream definition is described. 相似文献
68.
Brewer C Brewer G Butcher RJ Carpenter EE Cuenca L Schmiedekamp AM Viragh C 《Dalton transactions (Cambridge, England : 2003)》2005,(22):3617-3619
The iron(II) and manganese(II) complexes of the N(7) Schiff-base condensate of tris(3-aminopropyl)amine with 1-methyl-2-imidazolecarbaldehyde and the manganese(II) complex of the N(7) Schiff-base condensate of tris(3-aminopropyl)amine with 4-imidazolecarbaldehyde are high-spin mono capped octahedral seven-coordinate complexes with a short, approximately 2.44 è, metal to apical nitrogen bond. 相似文献
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We investigate the odd and even character of the shielding response in a chiral molecule (modeled by a Ne8 helix) when subjected to a chiral potential. We establish that the diastereomeric splittings are a measure of odd powers of Vodd. Implications for diastereomeric, splittings of Xe in handed cages with handed tethers are discussed. 相似文献