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  • Linked and unlinked diagrams  (2)
  • soils  (2)
  • 1995-1999  (4)
  • 1985-1989
  • 1995  (4)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Microchimica acta 119 (1995), S. 251-258 
    ISSN: 1436-5073
    Keywords: extractable chromium ; soils ; EDTA extracts ; acetic acid extracts ; FAAS ; releasing agent oxine and ETAAS
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The lixiviation of trace metals from soils using selective extractants gives valuable information, especially for agricultural purposes. The two reagents validated by a group of European researchers coordinated by the Measurements and Testing Program (MAT) of the Commission of the European Community, in single extraction procedures, are EDTA 0.05 moll−1 and CH3COOH 0.43 moll−1. This paper reports the effect of these extractants upon chromium determination in extracts by AAS. Matrix effects were studied in extracts of two soils of different origin: a terra rossa soil from a Mediterranean area and a sewage amended soil. For the FAAS technique, the matrix effects were studied for air-acetylene and nitrous oxide-acetylene flames and using Cr(VI) and Cr(III) as standard solutions. The interfering effects observed are circumvented by the use of 1% 8-hydroxyquinoline as suppressor agent. For the ETAAS technique, charring and atomization curves were obtained for extracts in each reagent and after setting up the graphite furnace program, matrix effects were studied. Different matrix modifiers (Mg(NO3)2, Pd and Triton X-100) were also tested. Once the analytical method had been established, single extraction procedures were applied in the two soils, determining the percentage of extractable chromium in relation to the total content.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1436-5073
    Keywords: extraction ; soils ; trace elements ; candidate CRMs ; reference materials
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The determination of extractable trace metal contents in soil using single extraction procedures is currently performed in many laboratories to assess the bioavailable metal fraction (and related phytotoxic effects) and the accessability to the environment (e.g. contamination of ground waters). Owing to the need for validation of the extraction schemes used and of the analytical techniques, the EC Measurements and Testing Programme (formerly BCR) has organized a project for improving the quality of determination of extractable trace metal contents in soil, the first step being an interlaboratory study to adopt common extraction procedures and the second being a certification campaign to certify two soils for their extractable trace element contents following these procedures. This paper gives a brief overview of the project organisation and describes the preparation, homogeneity and stability studies of two soil candidate reference materials (sewage sludge-amended and terra rossa soils).
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 92 (1995), S. 241-252 
    ISSN: 1432-2234
    Keywords: Intermediate Hamiltonians ; Total dressing ; Size-consistent configuration interactions ; Linked and unlinked diagrams ; Spectroscopic constants
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A previously proposed procedure including the linked and unlinked contributions due to Triple and Quadruple excitations into a size-consistent SDCI-like model has been applied to HF and F2 single-bond systems. The procedure is a non-iterative approximation to the more general total dressing model, which is based on the intermediate Hamiltonians theory. Three basis sets have been employed: the correlation consistent cc-pVTZ basis, a similar one including 3d1f polarization functions, and another including one set of g polarization functions. Excellent agreement with experiment and high-quality calculations is obtained for both equilibrium distances and spectroscopic constants. The possibilities of the method in treating single-bond breaking are also demonstrated. Finally, the Linked and Non-Linked contributions from Triple and Quadruple excitations are analysed separately and it is suggested that the addition of the linked triples to the size-consistent SDCI is sufficient to have quantitatively correct spectroscopic properties in going from the size-consistent SDCI to nearly experimental values.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Theoretica chimica acta 92 (1995), S. 241-252 
    ISSN: 0040-5744
    Keywords: Key words: Intermediate Hamiltonians ; Total dressing ; Size-consistent configuration interactions ; Linked and unlinked diagrams ; Spectroscopic constants
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary.  A previously proposed procedure including the linked and unlinked contributions due to Triple and Quadruple excitations into a size-consistent SDCI-like model has been applied to HF and F2 single-bond systems. The procedure is a non-iterative approximation to the more general total dressing model, which is based on the intermediate Hamiltonians theory. Three basis sets have been employed: the correlation consistent cc-pVTZ basis, a similar one including 3d1f polarization functions, and another including one set of g polarization functions. Excellent agreement with experiment and high-quality calculations is obtained for both equilibrium distances and spectroscopic constants. The possibilities of the method in treating single-bond breaking are also demonstrated. Finally, the Linked and Non-Linked contributions from Triple and Quadruple excitations are analysed separately and it is suggested that the addition of the linked triples to the size-consistent SDCI is sufficient to have quantitatively correct spectroscopic properties in going from the size-consistent SDCI to nearly experimental values.
    Type of Medium: Electronic Resource
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