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  • 1
    Electronic Resource
    Electronic Resource
    Intraframework potential energy function of zeolites (1989)
    Springer
    Theoretical chemistry accounts 75 (1989), S. 461-474 
    Details
    ISSN: 1432-2234
    Keywords: Molecular mechanics ; Activation energy ; Zeolites
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Potential energy functions suitable for the (Cs1−xNaxT2O4)-A type zeolite family were obtained from the known crystal structure of Cs7Na5-A zeolite. Using these potential functions, several other crystal structures in these family were obtained by molecular mechanical calculations. The activation energy α- to α-cage transmission of the H2 molecule and the void volume of Cs3Na9-A zeolite were calculated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00527677
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