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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 35 (1989), S. 679-685 
    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 self-consistent multiple scattering Xα (MSXα) method is used to arrive at the electronic structure of a helium-trapped vacancy in aluminum using a cluster model. The calculated orbital energies, electron density, and charge distributions are compared with the available theoretical results. It is shown that helium trapping causes the reshuffling and upward movement of the cluster levels (with vacancy).
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 34 (1996), S. 2209-2222 
    ISSN: 0887-6266
    Keywords: poly(1-trimethylsilyl-1-propyne) ; poly(1-phenyl-1-propyne) ; blends ; gas and vapor transport ; NMR ; Maxwell model ; Bruggeman model ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Pure gas and hydrocarbon vapor transport properties of blends of two glassy, polyacetylene-based polymers, poly(1-trimethylsilyl-1-propyne) [PTMSP] and poly(1-phenyl-1-propyne) [PPP], have been determined. Solid-state CP/MAS NMR proton rotating frame relaxation times were determined in the pure polymers and the blends. NMR studies show that PTMSP and PPP form strongly phase-separated blends. The permeabilities of the pure polymers and each blend were determined with hydrogen, nitrogen, oxygen, carbon dioxide, and n-butane. PTMSP exhibits unusual gas and vapor transport properties which result from its extremely high free volume. PTMSP is more permeable to large organic vapors, such as n-butane, than to small, permanent gases, such as hydrogen. PPP exhibits gas permeation characteristics of conventional low free volume glassy polymers; PPP is more permeable to hydrogen than to n-butane. In PTMSP/PPP blends, both n-butane permeability and n-butane/hydrogen selectivity increase as the PTMSP content of the blends increases. © 1996 John Wiley & Sons, Inc.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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