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  • 1970-1974  (3)
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Year
  • 1
    Electronic Resource
    Electronic Resource
    Non-radiative electronic capture rates by a halide vacancy in alkali halides (1974)
    Springer
    The European physical journal 17 (1974), S. 71-97 
    Details
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We treat non-radiative electronic capture rates induced by the non-adiabatic perturbation operator with corresponding transition probabilities. Therefore a dynamical electronic wavefunction is evaluated. By coupling the electron to “dressed phonon” modes, which connect the “local” optical mode to the acoustic phonons, exact energy balance in the transition probabilities is possible. The Franck-Condon-Integrals arising there are thermal averaged analytically. The method is applicable to transitions between two discrete electronic levels as well as band to discrete level transitions. Numerical results are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01854957
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    The use of correlated Gaussian wavefunctions for the calculation of chemical energies for small systems (1972)
    Springer
    Theoretical chemistry accounts 28 (1972), S. 13-26 
    Details
    ISSN: 1432-2234
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die Anwendungsmöglichkeit von Basissätzen einer beschränkten Zahl von Gaußfunktionen zur Berechnung von Dissoziations- und Aktivierungsenergien wird untersucht. Der Hauptvorteil bei der Verwendung von Gaußfunktionen besteht darin, daß sie auf Integrale führen, die analytisch ausgewertet werden können, sogar im Falle, daß explizite Korrelationsanteile in den Funktionen enthalten sind. Für H2 und lineares H3 wurde eine eingeschränkte Gaußfunktionenbasis vom 1s-Typ unter Einschluß expliziter Korrelationsanteile verwendet. Das beste Ergebnis für die Dissoziationsenergie des H2 beträgt 105,1 kcal/mol. Dagegen ergibt sich für die Aktivierungsenergie der Austauschreaktion Wasserstoffatom-Wasserstoffmolekül ein Wert von 15,8 kcal/mol.
    Notes: Abstract The purpose of this paper was to investigate the use of limited sets of Gaussian functions as bases to calculate dissociation and activation energies. Gaussian functions have the principal advantage that they lead to integrals that can be performed analytically, even when explicit correlation terms are introduced. Calculations were performed on H2 and linear H3 using a restricted 1s-type Gaussian basis, and direct correlation factors were introduced into the wave function in both cases. The best result for the dissociation energy of H2 was 105.1 kcal/mole. However, the activation energy of the hydrogen atom-hydrogen molecule exchange reaction was calculated to be 15.8 kcal/mole.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00528869
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Survival of microorganisms in a simulated Martian environment (1971)
    Springer
    Origins of life and evolution of the biospheres 3 (1971), S. 12-24 
    Details
    ISSN: 1573-0875
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Studies were conducted to determine the effects of a simulated Martian environment on the survival of terrestrial microorganisms. Mariner IV data were utilized to establish the Martian model. Day/night cycling, temperature, humidity, pressure, atmospheric constituents and solar irradiation were controlled in a 3600 ft3 simulation chamber at the Boeing Kent Space Simulation Laboratory. Microorganisms used in this study included suspensions of:Bacillus subtilis var.niger spores, a psychrophilic sporeformer, and the organisms contained in a soil emulsion prepared from several soils. Aliquots of each suspension were placed on separate sterile stainless steel planchets, air dried, and positioned in 4 layers in sterile limonite. One-half of the samples placed on the surface received the total solar spectrum (0.44 earth solar constants); the remainder of the surface samples received the above treatment minus the ultraviolet (UV) portion of the spectrum. Subsurface samples were placed in limonite at depths of 0.5, 1.5 and 3 in. Survival data were obtained for chamber exposure periods of 2, 4, and 8 days. These data indicate that: (1) organisms exposed to the total solar spectrum did not survive, (2) a time dependent, 1 to 3 log, reduction in numbers occurred in the surface samples that received the solar spectrum minus UV, and (3) subsurface survival varied with depth and type or organism.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00924210
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    Paper (German National Licenses)
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