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  • Chemistry  (132)
  • Inorganic Chemistry  (14)
  • Organic Chemistry  (13)
  • Atomic, Molecular and Optical Physics  (5)
  • Magnetism
  • Wiley-Blackwell  (137)
  • 1990-1994  (137)
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  • Wiley-Blackwell  (137)
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  • 11
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 25 (1991), S. VIII 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 12
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 26 (1992), S. 102-109 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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  • 13
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 26 (1992), S. XI 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 14
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 27 (1993), S. X 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 15
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 49-59 
    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 effects of the solvent on the stability of the zwitterion in the active site of papain is investigated with numerical methods. The solvent is represented by a homogeneous dielectric continuum surrounding a cavity, defined by a fragment of the protein enclosed by a surface obtained following Connolly's method. The discretisized boundary surface is used to solve the Poisson equation in its integral form by means of a numerical approximation based on the boundary element method (BEM), resulting in a set of surface polarization charges. The solvent effect on the proton transfer in papain is studied on the basis of MO-SCF-direct reaction field (DRF) calculations of the energy and charge distribution of the fragment in the field of the surface charges. The role of Asp-158 in the proton transfer in the active site of papain is reevaluated in the presence of the solvent. It is concluded that the effect of the negative charge of Asp-158 is nearly completely screened by the solvent.
    Additional Material: 5 Ill.
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  • 16
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 687-702 
    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: This article describes the computation of the tunnel current in a scanning tunneling microscope (STM). The calculation accounts for the three-dimensional scattering taking place simultaneously in the first atomic layers of the sample and in the apex of the probing tip. The model is built with the following ingredients: (a) the tip is represented by a cluster of atoms attached to an otherwise planar, free-electron metal surface, and (b) the analyzed sample is a planar free-electron metal with a local potential corrugation induced by an isolated molecule or adatom. The potential barrier includes the strong bending effect due to the image-charge formation occurring as the tunneling electron crosses the gap between the tip and the sample. The specific theoretical approach designed to solve this scattering problem exploits the fast Fourier transform algorithm to construct a transfer matrix in a mixed real- and momentum-spaces representation. The total current is obtained by summing the contributions of all scattered waves traveling in the barrier between the tip and the sample, and it is studied in this article for various positions of the tip relative to the adsorbed atomic cluster. The theory is used here to simulate the scan of a model-aluminum atom on a free-electron metal substrate using electrons focused by a single-atom tungsten tip.
    Additional Material: 8 Ill.
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  • 17
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Materialwissenschaft und Werkstofftechnik 24 (1993), S. 86-90 
    ISSN: 0933-5137
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Ziel der Untersuchungen war die Analyse der Schichtwachstumsprozesse bei der plasmaunterstützten CVD-Abscheidung (PACVD) von Titannitridschichten auf Stählen im Niedertemperaturbereich ≤ 500°C.Im Vordergrund standen werkstoffkundliche Untersuchungen der verschiedenen Schichtwachstumsstadien, die sich als Funktion der Beschichtungsdauer ergeben. Die Herstellung der Schichten erfolgte in einer Puls-Plasma-CVD-Anlage. Um den gesamten Wachstumsprozeß vom Beginn der Abscheidung bis zum Wachstum geschlossener Schichten zu untersuchen, wurden die Proben bei konstanten Abscheidungsbedingungen jeweils unterschiedlich lange dem Reaktionsgasfluß ausgesetzt. Der Abbruch des Beschichtungsprozesses für die entsprechende Probe nach einer festgelegten Beschichtungszeit wurde durch die Verwendung eines Probenwechslers gewährleistet.Die Bildung der TiN-Schichten wurde an Proben aus dem Schnellarbeitsstahl S 6-5-2 (DIN 1.3343) im vergüteten Zustand untersucht. Es wurde festgestellt, daß bei diesem Substratwerkstoff zwei Oberflächenqualitäten mit unterschiedlich guten Anlagerungsbedingungen für, während der Vorbehandlung entstehende, adhäsive Verbindungen vorliegen. Die Bildung von Keimen und das Wachstum von Agglomeraten wird wesentlich durch diese Sorptionsschichten beeinflußt. Die Zahl der gebildeten Agglomerate ist bei Proben, die einer Vorbehandlung im Plasma ausgesetzt wurden, um den Faktor 10 größer als bei Proben, die während dieser Vorbehandlung abgedeckt waren. Es wurden neue Modellvorstellungen für die Entstehung und das Wachstum von Schichten entwickelt.
    Additional Material: 15 Ill.
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  • 18
    ISSN: 0933-5137
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Description / Table of Contents: High temperature behaviour of materials for gas turbine blades manufactured in new technologyOn gas turbine blades for the middle and last stages of stationary gas turbines, the service-relevant material properties were examined. The specimens were taken from forged blades of alloys Nimonic 101 and Udimet 720 and from two fine grain versions of cast blades of alloy IN-792. In the range of service relevant temperatures long-term creep rupture tests, annealing tests, relaxations tests as well as low and high cycle fatigue tests were carried out.
    Notes: An in neuer Technologie gefertigten Schaufeln für die mittleren bis hinteren Laufreihen von stationären Gasturbinen wurden betriebsrelevante Werkstoffeigenschaften bestimmt. Die Untersuchungen erfolgten an den Schmiedelegierungen Nimonic 101 and Udimet 720 und an zwei Feinkornvarianten der Gußlegierung IN-792. Im Bereich der Anwendungstemperaturen wurden Langzeitstandversuche, Glühversuche, Relaxationsversuche sowie nieder- und hochfrequente zyklische Versuche durchgeführt.
    Additional Material: 13 Ill.
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  • 19
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 334 (1992), S. 49-52 
    ISSN: 0941-1216
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: HPLC-Electrochemical Detector with a Carbon Fiber Working ElectrodeThe paper describes an electrochemical detector with carbon fibers as the working electrode placed perpendicularly to the flow direction. The detector performance was characterized by the detection limit for selected phenolic compounds, reproducibility, linearity and the signal dependence on the flow rate. An electrochemical in situ pretreatment of the working electrode improves sensitivity and long term stability.
    Additional Material: 4 Ill.
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  • 20
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 334 (1992), S. 237-240 
    ISSN: 0941-1216
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Quantum Chemical Calculations on the Addition of CH3-XFX (X = 0,…,3) to Ethene. I. Semiempirical Investigations by Means of the AM1 MethodAM1 calculations are reported for the homolytical addition of CH3-XFX (X = 0,…,3) to ethene. The structures of the reactants, the products and the transition states, as well as the reaction enthalpies are described reasonably. The calculated activation barriers are significantly different from the experimental activation energies, probably because the parametrisation is not well suited for the energetics of radical species, especially radical transition states. MNDO gives similar results, MINDO/3 fails completely.
    Additional Material: 2 Ill.
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