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  • 1995-1999  (4)
  • 1965-1969  (3)
  • Chemistry  (6)
  • Computational Chemistry and Molecular Modeling  (1)
  • Cotransport
  • Polymer and Materials Science
  • 1
    Electronic Resource
    Electronic Resource
    Lochfraß- und Kontaktkorrosion an magnesiumumhülten Spaltstoffelementen (1968)
    Weinheim [u.a.] : Wiley-Blackwell
    Materials and Corrosion/Werkstoffe und Korrosion 19 (1968), S. 895-900 
    Details
    ISSN: 0947-5117
    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: Pitting and contact corrosion in magnesium-canned fuel rodsWhen nuclear fuel elements  -  containing Mg, graphite and Zircaloy  -  are stored in water there is the danger of contact corrosion of Mg in contact wit graphite; in partcular when cholorides are present (even in traces) there exists the danger of pitting corrosion. Only at pH values 〉 11,5 a bydroxide layer is formed which yields a certain protection. The pitting potential in alkaline waters is shifted to more negative values with incrasing chloride contents; this displacement can be prevented by inhiitors. Most efficient is the addition of sodium carbonate which gives rise to the formation of a protective hydromagnesite layer.
    Notes: Bei Lagerung verbrauchter Brennstoffelemente  -  Werkstoffe Mg, Graphit, Zircaloy  -  in Wasser besteht die Gefahr der Kontaktkorrosion von Mg bei Kontakt mit Graphit; besonders bei Anwesenheit von Chloriden besteht Lochfraßgefahr. Erst bei pH Werten 〉 11,5 entsteht eine Hydroxidschicht, die einen gewissen Schutz bewirkt. Das Lochfraßpotential im alkalischen Wasser verschiebt sich mit zunehmendem Chloridgebalt stark in den Bereich negativer Werte, was durch Inhibitoren verhindert werden kann. Am günstigsten ist Zusatz von Natriumcarbonat, das zur Bildung eines Schutzfilms aus Hydromagnesit führt.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/maco.19680191010
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    83. Modellierung der Fließeigenschaften von Suspensionen in Abhängigkeit von Feststoffvolumenkonzentration, Partikelgröße und Partikelform (1999)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 71 (1999), S. 994-994 
    Details
    ISSN: 0009-286X
    Keywords: Chemistry ; Industrial Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330710987
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Die Elektronenzustände von Perimeter-π-Systemen. II. Das Elektronenspektrum des trans-15, 16-Dimethyl-dihydropyrens (1967)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 50 (1967), S. 68-84 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electronic spectrum and the polarisation of the transitions have been determined in the region from 15000 to 50000 cm-1 for the 2-acetamino derivative of trans-15, 16-dimethyl-dihydropyrene, whose spectrum resembles closely that of the parent compound and its di-ethyl analogue. It is shown that the sequence of states is 1Lb, 1La, 1Bb, 1Ba, in agreement with theoretical predictions which were deduced from a configuration interaction model for the D2h-π-perimeter of these systems. The influence of inductive and hyperconjugative effects on the band positions and the band intensities has been discussed.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19670500112
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  • 4
    Electronic Resource
    Electronic Resource
    Die Electronenzustände von Perimeter-π-Systemen: III. Das Elektronenspektrum des 1,6-Methano-[11] annulenium-Kations (1968)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 51 (1968), S. 225-240 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electronic spectra and the polarisation of the transitions have been determined for the 1,6-methano-[11] annulenium cation III and the 4,6-dimethyl-1,2-benzotropylium cation IV. The observed sequence of polarisation of the prominent bands corresponding to the lowest electronically excited states is in agreement with the predictions derived from molecular orbital models of the PARISER-PARR-POPLE type. The influence of partial conjugation between the bridged centre and of the inductive effect of the methylene group in III has been investigated.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19680510128
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  • 5
    Electronic Resource
    Electronic Resource
    Density functional investigation of the mechanism of the selective catalytic reduction of NO by NH3 over vanadium oxide model clusters (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 61 (1997), S. 683-688 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Quantum chemical calculations using the density functional theory were performed to model the mechanism of selective catalytic reduction of NO by NH3 on a supported vanadium oxide monolayer. In the first step, the adsorption of NH3 on a bimetallic cluster representative of vanadium oxide, containing a terminal V—O adjacent to a V—OH group, was investigated. The calculations indicate that NH3 may be strongly adsorbed on V=OH (Brönsted acid site) as NH+4(ads); subsequently, NO reacts with this activated NH3 to yield the reaction products N2 and H2O. The present results give support to a dual-site Eley-Rideal-type mechanism involving a Brönsted site. © 1997 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 6
    Electronic Resource
    Electronic Resource
    Comparison of the performance of various gradient-corrected exchange and correlation functionals in density functional theory: Case studies of CO and N2O molecules (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 56 (1995), S. 753-762 
    Details
    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: An investigation of the influence of various gradient-corrected exchange and correlation functionals on the bond lengths and dipole moments of CO and N2O has been carried out using density functional theory. It is shown that whereas some functionals are found to be more sensitive to the basis set quality than are others, the more commonly used gradient-corrected functionals lead to properties in very good agreement with experiment provided that a sufficiently large basis set is employed. © 1995 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560560611
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  • 7
    Electronic Resource
    Electronic Resource
    Interactions of Tin(IV) and monomethyltin cation in estuarine water-sediment slurries from the great bay estuary, New Hampshire, USA (1995)
    New York, NY [u.a.] : Wiley-Blackwell
    Applied Organometallic Chemistry 9 (1995), S. 581-590 
    Details
    ISSN: 0268-2605
    Keywords: inorganic tin ; monomethyltin cation ; model studies ; salt marsh ; sediment ; Spartina alterniflora ; Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This study describes experiments on sedimentestuarine water slurries originating from a Spartina alterniflora salt marsh. We investigated the fate of tin(IV) or monomethyltin cation (MeSn3+) chlorides after their additon to slurries under anaerobic and aerobic conditions. We did not observe methylation of tin in anaerobic or aerobic slurries with and without added tin(IV). MeSn3+-amended samples occasionally formed small amounts of Me2Sn2+ or Me3Sn+ after extended periods of time, particularly when MeSn3+ remained in solution. The stability of MeSn3+ in slurries demonstrates that the absence of net methylation of tin(IV) is not due to rapid demethylation of MeSn3+ or its further methylation. Inorganic tin concentrations in the aqueous phase of anaerobic slurries spiked with MeSn3+ and unspiked slurries decreased by about 85% in 21 days and remained relatively constant until the end of the 59-day experiments. In similar anaerobic experiments about 25% of the MeSn3+ spike was adsorbed to sediment within 1 h and about 75% was adsorbed within 10 days. The lack of methylation and demethylation reactions in our aerobic and anaerobic slurries, which contrasts with two previous reports, undoubtedly reflects the absence of added nutrients and low concentrations of added tin(IV) in our experiments. We believe that our model experiments more accurately reflect conditions in salt marshes than do previous studies. We conclude that future model studies on methylation of inorganic tin should include. S. alterniflora because it is so prominent in observations of methyltin compounds in the estuary.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aoc.590090713
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