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  • Computational Chemistry and Molecular Modeling  (1)
  • Raman spectroscopy  (1)
  • bottom shear stress  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Hydrobiologia 241 (1992), S. 163-172 
    ISSN: 1573-5117
    Keywords: suspended matter ; surficial film ; cohesive sediments ; erosion ; settling sediment traps ; bottom shear stress
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Resuspension of inorganic sediments in a very shallow Swedish lake is studied using settling sediment traps and measurements of suspended matter. Theoretical aspects of resuspension dynamics is discussed emphasizing special shallow lake aspects. Bottom shear stress distribution is computed for different wind conditions.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 1-8 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The molecules of M2Se and M2I+ (M = Ag, Au) are used as test models to study the quality of the pseudopotential methodology when using the Hartree-Fock and second-order Møller-Plesset methods. We have used two implementations of the Wadt and Hay pseudopotentials: the new large- and small-core pseudopotentials (known as LANL 1DZ and LANL2DZ in GAUSSIAN-92) and the traditional one used for a long time. It is found that the optimum geometry depends on the type of pseudopotential selected. A comparison with the results computed when all the electrons are taken explicitly into account shows that the new LANL1DZ and LANL2DZ give the right answer. Using these potentials, the geometry and potential energy surface of the M2Se and M2I+ systems is explored and its optimum geometry found. © 1994 John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 621 (1995), S. 165-170 
    ISSN: 0044-2313
    Keywords: Crystal structure ; mercury complex ; Raman spectroscopy ; triethylsulfonium ion ; polyiodide ; iodine bridges ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The First Polyiodo Complex - Triethylsulfoniumtriiodomercurate(II)-tris(diiodine), (Et3S)[Hg2I6]1/2 · 3 I2After Raman spectroscopic investigation of the system HgI2/Et3SIx, x = 3, 5, 7, triethylsulfoniumtriiodomercuratetris(diiodine), (Et3S)[Hg2I6]1/2 · 3 I2 was synthesized by reacting of HgI2 and liquid Et3SI7. The compound crystallizes at room temperature triclinically in the space group P1 with a = 879.4(7), b = 1 209.1(5), c = 1 291.5(5) pm, α = 96.16(3)°, β = 103.82(6)°, γ = 99.05(5)° and Z = 2. The crystal structure is composed of disordered Et3S+ cations, the centrosymmetric complex anion [HgI2/2I2]22- and three connecting iodine molecules I2.
    Notes: Nach Raman-spektroskopischer Untersuchung des Systems HgI2/Et3SIx, x = 3, 5, 7, wurde die neue Verbindung Triethylsulfoniumtriiodomercurat-tris(diiod), (Et3S) · [Hg2I6]1/2 · 3 I2, durch Umsetzung von HgI2 mit flüssigem Et3SI7 dargestellt und strukturell charakterisiert. Sie kristallisiert bei Raumtemperatur in der triklinen Raumgruppe P1 mit a = 879,4(7), b = 1 209,1(5), c = 1 291,5(5) pm, α = 96,16(3)°, β = 103,82(6)°, γ = 99,05(5)° und Z = 2. Die Kristallstruktur wird aus dem fehlgeordneten Kation Et3S+, einem aus zwei kantenverknüpften Tetraedern [HgI2/2I2]22- der Symmetrie i und drei I2 aufgebaut, welche die Anionen über die nicht verbrückenden Iodid-Liganden vernetzen.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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