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  • Artikel: DFG Deutsche Nationallizenzen  (9)
  • Digitale Medien  (9)
  • 2005-2009
  • 1980-1984
  • 1975-1979  (9)
  • 1955-1959
  • 1910-1914
  • 1978  (9)
Datenquelle
  • Artikel: DFG Deutsche Nationallizenzen  (9)
Materialart
  • Digitale Medien  (9)
Erscheinungszeitraum
  • 2005-2009
  • 1980-1984
  • 1975-1979  (9)
  • 1955-1959
  • 1910-1914
Jahr
  • 1
    Digitale Medien
    Digitale Medien
    s.l. : American Chemical Society
    Analytical chemistry 50 (1978), S. 767-769 
    ISSN: 1520-6882
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    s.l. : American Chemical Society
    The @journal of organic chemistry 43 (1978), S. 1467-1468 
    ISSN: 1520-6904
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    s.l. : American Chemical Society
    Journal of the American Chemical Society 100 (1978), S. 4982-4987 
    ISSN: 1520-5126
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 4
    Digitale Medien
    Digitale Medien
    Springer
    Theoretical chemistry accounts 48 (1978), S. 127-141 
    ISSN: 1432-2234
    Schlagwort(e): Polymers, linear ∼
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The Fourier representation method described in the previous paper of this series is used to make electronic structure calculations for a linear chain of equally spaced hydrogen atoms. The electronic wavefunction is assumed to be a determinant of doubly-occupied crystal orbitals of modulated-plane-wave type, built from one 1s Slater-type orbital of screening parameter ζ centered on each atom. The energy is calculated from the electrostatic zero-order Hamiltonian with exact evaluation of all Coulomb and exchange contributions, and is optimized with respect to the lattice spacing and ζ value. Good agreement with work by others is noted, indicating a near-equivalence of modulated-plane-wave and tight-binding wavefunctions for this half-filled-valence-band system. The linear chain is calculated to be far more stable than cubic three-dimensional hydrogen crystals. This fact sheds light on the unusually large calculated nearest-neighbor distances in the cubic crystals, and is related to a suggestion that under certain conditions the most stable structure for solid atomic hydrogen may be of lower symmetry than cubic.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 5
    Digitale Medien
    Digitale Medien
    Springer
    Journal of thermal analysis and calorimetry 14 (1978), S. 253-264 
    ISSN: 1572-8943
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Beschreibung / Inhaltsverzeichnis: Resumé Le ferrocyanure de potassium trihydraté, K4Fe(CN)6·3H2O, a été chauffé en présence d'oxygÊne dans un Derivatograph, dans des conditions bien déterminées de masse et de vitesse de chauffage. Le chauffage a été interrompu à diverses températures et les spectres Mössbauer ainsi que les diffractogrammes de rayons X ont été enregistrés aprÊs trempe du matériau à la température ambiante. On a étudié de cette faÇon le déroulement de la réaction; on décrit les avantages et les inconvénients de chacune de ces techniques. On a pu déceler la présence de K4Fe(CN)6,α-Fe2O3, Fe3O4 Fe3C, Fe, FeO, KFeO2,Β-FeOOH, KOCN, K2CO3 et KCN aux différentes étapes du traitement thermique.
    Kurzfassung: Zusammenfassung Kaliumhexacyanoferrat(II)trihydrat, K4[Fe(CN)6.3H2O wurde unter kontrollierten Bedingungen in einem Derivatographen in Gegenwart von Sauerstoff erhitzt. Das Aufheizen wurde bei verschiedenen Temperaturen gestoppt und Mössbauer-Spektren, sowie Röntgendiffraktogramme aufgenommen. Der Reaktionsweg wurde auf diese Weise untersucht und die Vor- und Nachteile jeder der Techniken beschrieben. Bei den verschiedenen Stufen des thermischen Vorganges konnten K4[Fe(CN)6],α-Fe2O3, Fe3O4, Fe3C, Fe, FeO, KFeO2,Β-FeOOH, KOCN, K2CO3 und KCN nachgewiesen werden.
    Notizen: Abstract Potassium hexacyanoferrate(II) trihydrate, K4Fe(CN)6·3H2O, was heated under controlled conditions of mass and rate in a derivatograph in the presence of oxygen. The heating was stopped at different temperatures and Mössbauer spectra and X-ray diffractograms were taken on the quenched material at room temperature. The reaction pathway was studied in this way and the advantages and drawbacks of each of the techniques are described. At different stages of the thermal process we were able to show the presence of K4Fe(CN)6,α-Fe2O3, Fe3O4, Fe3C, Fe, FeO, KFeO2,Β-FeOOH, KOCN, K2CO3 and KCN.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 6
    Digitale Medien
    Digitale Medien
    Springer
    Theoretical chemistry accounts 48 (1978), S. 127-141 
    ISSN: 1432-2234
    Schlagwort(e): Polymers, linear ∼
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The Fourier representation method described in the previous paper of this series is used to make electronic structure calculations for a linear chain of equally spaced hydrogen atoms. The electronic wavefunction is assumed to be a determinant of doubly-occupied crystal orbitals of modulated-plane-wave type, built from one 1s Slater-type orbital of screening parameter ζ centered on each atom. The energy is calculated from the electrostatic zero-order Hamiltonian with exact evaluation of all Coulomb and exchange contributions, and is optimized with respect to the lattice spacing and ζ value. Good agreement with work by others is noted, indicating a near-equivalence of modulated-plane-wave and tight-binding wavefunctions for this half-filled-valence-band system. The linear chain is calculated to be far more stable than cubic three-dimensional hydrogen crystals. This fact sheds light on the unusually large calculated nearest-neighbor distances in the cubic crystals, and is related to a suggestion that under certain conditions the most stable structure for solid atomic hydrogen may be of lower symmetry than cubic.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 7
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 13 (1978), S. 189-198 
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We consider the “Hartree Problem,” here defined as the problem of finding the orthogonal one-electron states which in a single determinant minimize the electronic energy, excluding exchange contributions. These states may provide a useful basis for correlation-energy studies. It is shown how the “Hartree Problem,” although superficially not of pseudoeigenvalue form, can nevertheless be cast in such a form and solved by an iterative diagonalization process.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 8
    Digitale Medien
    Digitale Medien
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 12 (1978), S. 765-777 
    ISSN: 0029-5981
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 9
    Digitale Medien
    Digitale Medien
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 18 (1978), S. 382-387 
    ISSN: 0032-3888
    Schlagwort(e): Chemistry ; Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Maschinenbau , Physik
    Notizen: Temperature measurements were made on the adiabatic polymerization of three urethane systems; two casting formulations, one thermoplastic and the other thermosetting, and a commercial reaction injection molding (RIM) formulation with a 10 second gel time. The data were found to fit a simple nth order overall kinetic expression. These kinetic and heat of reaction results were used to model heat transfer in a 3.8 cm diameter cylinder with an isothermal wall. Experimental temperature profiles for the two casting urethanes were in good agreement with predictions. The kinetic data on the RIM material was used to model temperature profiles1 in 3 and 6 mm thick plaque molds. Experimental measurements of temperature near the mold center agreed with the model. Temperatures measured near the wall were higher due to failure of the isothermal wall assumption.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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