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Hanns Malissa 《Mikrochimica acta》1986,89(1-6):3-13
After a short retrospect to chemometry and stoichiometry the definition of COBAC (computer-based analytical chemistry) is as follows: the on-line hyphenation of analytical instruments with a computerized information-system. A hierarchical scheme and some examples of use and interpretation are given. 相似文献
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Recently, a density functional theory for hard particles with shape anisotropy was developed, the extended deconvolution fundamental measure theory (edFMT). We apply edFMT to hard dumbbells, arguably the simplest non-convex shape and readily available experimentally in the form of colloids. We obtain good agreement between edFMT and Monte Carlo simulations for fluids of dumbbells in a slit and for the same system under gravity. This indicates that edFMT can be successfully applied to nearly all colloidal shapes, not just for the convex shapes for which edFMT was originally derived. A theory, such as edFMT, that allows a fast and general way of mapping the phase behavior of anisotropic colloids, can act as a useful guide for the design of colloidal shapes for various applications. 相似文献
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Alberola A Carter E Constantinides CP Eisler DJ Murphy DM Rawson JM 《Chemical communications (Cambridge, England)》2011,47(9):2532-2534
The β-sheet structure associated with chlorinated aromatics (d(Cl···Cl)≈ 4.0 ?) has been implemented to drive formation of π-stacked structures of dithiadiazolyl radicals. Both title compounds exhibit an increase in paramagnetism above 150 K but solid-state EPR studies indicate that the origin of the paramagnetism in these two systems is different. 相似文献
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André Rothkirch G. Diego Gatta Mathias Meyer Sébastien Merkel Marco Merlini Hanns‐Peter Liermann 《Journal of synchrotron radiation》2013,20(5):711-720
Fast detectors employed at third‐generation synchrotrons have reduced collection times significantly and require the optimization of commercial as well as customized software packages for data reduction and analysis. In this paper a procedure to collect, process and analyze single‐crystal data sets collected at high pressure at the Extreme Conditions beamline (P02.2) at PETRA III, DESY, is presented. A new data image format called `Esperanto' is introduced that is supported by the commercial software package CrysAlisPro (Agilent Technologies UK Ltd). The new format acts as a vehicle to transform the most common area‐detector data formats via a translator software. Such a conversion tool has been developed and converts tiff data collected on a Perkin Elmer detector, as well as data collected on a MAR345/555, to be imported into the CrysAlisPro software. In order to demonstrate the validity of the new approach, a complete structure refinement of boron‐mullite (Al5BO9) collected at a pressure of 19.4 (2) GPa is presented. Details pertaining to the data collections and refinements of B‐mullite are presented. 相似文献
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Genesis Infante Assoc. Prof. Sara Eisler 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(65):16121-16126
Sequential anionic intramolecular cyclizations and modelling were used for the first time to access unusual fused heterocyclic frameworks in excellent yields. 5-Exo-dig cyclizations yielded isoindolinone motifs and a subsequent 6-exo- and 7-endo-dig cyclization was directed to provide either fused isoquinoline or azepine frameworks. Regioselectivities were controlled by exploiting stereoelectronic effects via nC−→π*(Ph) interactions, and modelling studies provided reaction scope. 相似文献
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Michael Bruns Roland Schlesinger Hanns Klewe-Nebenius Horst Baumann Ronald Becht Hans J. Ache 《Mikrochimica acta》1995,121(1-4):73-85
Na+-sensitive microdevices are of increasing interest for integration in microanalytical systems e.g. for biomedical applications or for industrial process control. In order to produce ultra thin Na+-sensitive layers with fixed and reproducible composition and, in particular, defined Na concentration by means of RF sputtering, an off-axis geometry of a magnetron with cylindrical target was chosen for minimizing back-sputtering effects from the already deposited material. With this inverted cylindrical magnetron (ICM) it was possible to obtain reproducible and controllable sodium aluminosilicate glass layers on semiconductor substrates. Several surface and thin layer analytical techniques were applied for characterization of the membranes and for stoichiometry control. Especially by the non-destructive nuclear reaction analysis method a constant Na profile throughout the glass layer and — together with AES depth profiles — the diffusion barrier effect of an Si3N4 interface layer could be verified. Electrochemical measurements proved Nernstian sensitivity down to 10–4
M Na+ in solutions of pH 7, supporting sufficient stability and reproducibility of the sputtered Na+-sensitive layers. 相似文献