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  • American Physical Society  (82)
  • Oxford University Press  (61)
  • Wiley-Blackwell  (24)
  • 1
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 3 (1957), S. 395-404 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 22 (1978), S. 497-510 
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The thermal decomposition of fibrous cellulose powder from 275° to 340°C has been studied by thermogravimetry, scanning electron microscopy, krypton adsorption, and gas-chromatographic analysis of the gaseous products arising from pyrolysis in various oxidizing and inert atmospheres. The reaction kinetics fit a phase boundary model where the rate is controlled by the movement of an interface through a cylindrical particle and the principal kinetic parameters fit a compensation curve described previously for the decomposition of wood products. An explanation of the physical mechanism of pyrolysis is proposed which is consistent with the observed rate data and the structural changes observed by scanning electron microscopy.
    Additional Material: 10 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 325 (1963), S. 191-195 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Using a dropping Bi electrode, the polarographic behaviour of heavy-metal ions in the molten LiCl—KCl eutectic has been investigated at 450°C. The half-wave potentials are communicated. An estimation of the Nernst factors shows that the Heyrovsky-Ilkovič equation is valid.
    Notes: Unter Verwendung einer tropfenden Wismutelektrode wird das polarographische Verhalten von Schwermetallionen im geschmolzenen LiCl—KCl-Eutektikum bei 450°C untersucht. Es werden die Halbstufenpotentiale ermittelt und an Hand der Nernst-Faktoren gezeigt, daß auch hier die Heyrovsky-Ilkovičsche Gleichung gilt.
    Additional Material: 6 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 409 (1974), S. 106-114 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Katalytische Oxydation von Wasserstoff an NickeloxidenDie katalytische Oxydation von Wasserstoff an hochdispersen sowie gesinterten Nickeloxiden wurde mit einer statischen Methode untersucht und das Vorhandensein zweier verschiedener kinetischer Bereiche festgestellt. Zwischen 0 und 100°C war die anfängliche katalytische Aktivität nicht stationär, und eine stark vergiftende Wirkung des Reaktionsproduktes wurde bei allen Temperaturen bis zu 250°C beobachtet. Die Aktivierungsenergie der Reaktion, die auf den anfänglichen Reaktionsgeschwindigkeiten auf frisch entgasten Oxidoberflächen basiert, wies den kleinen Wert von 1-2 kcal . mol-1 bei beiden Präparaten auf. Im Temperaturbereich zwischen 250 und 350°C wurde eine stationär katalytische Aktivität beobachtet, und die Aktivierungsenergie der Reaktion lag bedeutend höher bei 12-15 kcal . mol-1.Der Wechsel in der Aktivierungsenergie wird mit der Wirkung von unterschiedlichen Sauerstoffarten der Katalysatoroberfläche, die in beiden Temperaturbereichen verschiedene Aktivitäten bei der Reaktion aufweisen, diskutiert. Eine Analogie zwischen der Kohlen- oxid- nnd Wasserstoffoxydation an Nickeloxid wird festgestellt sowie ein Kompensationseffekt für eine Reihe von Oxydationsreaktionen gezeigt.
    Notes: The catalytic oxidation of hydrogen on highly-dispersed and sintered nickel oxides has been studied by a static method and the existence of two different kinetic rcgions established. Between 0 and 100°C the initial catalytic activity was not ionary and a strong poisoning effect of the reaction product was observed at all temperatnres up to 250°C. The activation energy of the reaction based on the initial reaction rates on freshly- outgassed oxide surfaces had a low value of 1-2 kcal. mole-1 with both preparations. Between 250 and 350°C stationary catalytic activity was observed and the activation energy of the reaction was significantly higher, 12-14 kcal . mole-1.The change of the activation energy is discussed in terms of the participation in the reaction of oxygen species in the catalyst surface layer which have different reactivities in the two temperature regions. A close analogy is noted between the carbon monoxide and hydrogen oxidation reactions on nickel oxide and a compensation effect is illustrated for a series of oxidation reactions on the oxide.
    Additional Material: 6 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 325 (1963), S. 181-190 
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Polarographic investigations in molten salt mixtures (NaCl—KCl, mole ration 1:1, 735°C; LiCl—KCl, 59 mole-% LiCl, 450°C) using W. microelectrodes and reducing heavymetal ions (sec „Inhaltsübersicht“) are described. The dependence of the half-wave potentials and diffusion currents on electrode material and surface, resp., on temperature and concentration is discussed. The polarogrphic determination of the investigated ions is possible from 10-4 to 10-2 mole/kg.
    Notes: Polarographische Untersuchungen in Schmelzen von NaCl—KCl-Gemischen (Molverhältnis 1:1) bei 735°C sowie LiCl—KCl-Gemischen (59 Mol-% LiCl, 41 Mol-% KCl) bei 450°C mit Wolfram-Mikroelektroden werden beschrieben. Die Halbstufenpotentiale von Co++, Ni++, Cu+, Zn++, Cd++, Fe++, Pb++, Tl+ und U4/U3+ sind vom Elektrodenmaterial abhängig, wie sich aus dem Vergleich mit an Platin gemessenen Werten ergibt. Die Veränderungen der Halbstufenpotentiale sowie des Diffusionsstromes mit der Depolarisatorkonzentration, der Temperatur und der Elektrodenoberfläche werden untersucht und diskutiert. Die polarographische Bestimmung der genannten Ionen auch nebeneinander gelingt in dem Konzentrationsbereich von etwa 10-4 bis 10-2 Mol pro kg.
    Additional Material: 12 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 829-846 
    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: Ab initio averaged relativistic effective core potentials (AREP), spin-orbit (SO) operators, and valence basis sets are reported for the elements Fr through Pu in the form of expansions in Gaussian-type functions. Gaussian basis sets with expansion coefficients for the low-energy states of each atom are given. Atomic orbital energies calculated under the j-j coupling scheme within the self-consistent field approximation and employing the AREP'S in their unaveraged form (REP'S) agree to within 10% of orbital energies due to numerical all-electron Dirac-Fock calculations. The accuracy of the AREP'S and so operators is also shown to be good through comparisons of calculated so splitting energies with all-electron Dirac-Fock results.
    Additional Material: 4 Tab.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 41 (1992), S. 733-747 
    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: Hartree-Fock-Roothaan studies are reported for low-lying electronic states of metallic beryllium as modeled by a moiety of 135 beryllium atoms. The system corresponds to 16 coordination shells of a central Be with internuclear separations derived from the lattice constants of the bulk metal. The calculations become tractable by use of the full D3h symmetry of the system at both the integrals and self-consistent-field stages and by employing ab initio effective potentials for the 1s electrons of each beryllium atom. Ionization potentials, binding energies, orbital energies, electric field gradients, nuclear-electrostatic potentials, diamagnetic shielding constants, second moments, and Mulliken populations are calculated for selected electronic states. The calculated ionization potential for the lowest state agrees to within 10% of the experimental bulk work function. A density-of-states analysis for that state is reported and compared with band structure calculations.
    Additional Material: 5 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 55 (1995), S. 393-410 
    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: Ab initio self-consistent-field calculations are reported for electronic states of beryllium clusters comprised of 93, 105, 111, and 123 atoms. The respective clusters correspond to coordination shells 12-15 of a central Be atom with internuclear separations derived from the lattice constants of the bulk metal. Ab initio effective core potentials have been employed to replace the 1 s electrons, thereby reducing the complexity of the calculations. In addition, use of the full D3h point group symmetry of the clusters results in a substantial reduction of the numbers of two-electron integrals that must be computed and processed. Binding energies, orbital energies, electric field gradient, nuclear-electrostatic potential, diamagnetic shielding constant, second moments, and Mulliken populations are calculated for selected electronic states. Calculated binding energies when compared among the different clusters as well as to smaller and larger fragments from earlier studies provide evidence for the onset of convergence to the Hartree-Fock limit of the bulk. Lowest-state ionization potentials are consistently above and agree to within 14% of the experimental workfunction. The net charge on the central beryllium atom decreases toward zero. The variability of observed bulklike behavior for the different properties indicates that the transition between cluster and bulklike behavior is not sharp and depends on the quantity of interest. © 1995 John Wiley & Sons, Inc.
    Additional Material: 8 Ill.
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  • 9
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 10
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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