Bibliothek

X
feed icon rss

Ihre E-Mail wurde erfolgreich gesendet. Bitte prüfen Sie Ihren Maileingang.

Leider ist ein Fehler beim E-Mail-Versand aufgetreten. Bitte versuchen Sie es erneut.

Vorgang fortführen?

Exportieren
Filter
  • Force constants  (1)
  • Pseudolattice calculations  (1)
  • Zeolites  (1)
Datenquelle
Materialart
Erscheinungszeitraum
Schlagwörter
  • 1
    Digitale Medien
    Digitale Medien
    Normal mode calculation and IR band assignments of A-type zeolite (1989)
    Springer
    Theoretical chemistry accounts 75 (1989), S. 307-319 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Band assignments ; Normal modes ; IR-zeolites ; Pseudolattice calculations ; Force constants
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Normal mode calculation of A-type zeolite was carried out with the potential energy functions obtained from the constraint method. Mass-weighted cartesian coordinates and the pseudo-lattice method were used. The assignments of IR absorption bands were made with the calculated normal modes, by using the calculated absorption intensities of the modes and the degrees of contribution of the internal coordinates to the modes. The force constants of internal coordinate motions within the framework were also calculated and are compared with the empirical values.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00533196
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 2
    Digitale Medien
    Digitale Medien
    Intraframework potential energy function of zeolites (1989)
    Springer
    Theoretical chemistry accounts 75 (1989), S. 461-474 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Molecular mechanics ; Activation energy ; Zeolites
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: 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.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00527677
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
Schließen ⊗
Diese Webseite nutzt Cookies und das Analyse-Tool Matomo. Weitere Informationen finden Sie hier...