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  • Atomic, Molecular and Optical Physics  (3)
  • 1985-1989  (2)
  • 1975-1979  (1)
  • 1920-1924
  • 1
    Electronic Resource
    Electronic Resource
    Metabolic activation of chemical carcinogens and binding of metabolites with nucleic acid bases (1979)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 16 (1979), S. 917-930 
    Details
    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: A free radical was produced enzymatically by incubating benzo(a)pyrene with liver microsomes. This radical, identified as the 6-oxybenzo(a) pyrene radical, was sufficiently reactive to bind covalently with nucleic acid bases. Similar reactive free radicals were produced enzymatically from anthanthrene and 10-aza-benzo(a)pyrene, which are carcinogenic in spite of lacking so-called “bay regions.” Hepatocarcinogens such as 3′-methyl-4-dimethylaminoazobenzene and related compounds, naphthylamines, and 2-acetylaminofluorene yield free radicals after being incubated with liver microsomes. Thus, various kinds of chemical carcinogens are found to be converted to free radicals, suggesting causal significance for the formation of free radicals in chemical carcinogenesis.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560160425
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  • 2
    Electronic Resource
    Electronic Resource
    Theory of electron degradation and yields of initial molecular species produced by ionizing radiation (1987)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 32 (1987), S. 251-266 
    Details
    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: Ionizing radiations generate in matter a large number of energetic electrons, which in turn collide with molecules in matter, produce ions and excited states, and thereby degrade in energy. The description of the consequences of many collision processes to the electrons and to matter is the goal of the electron degradation theory. We summarize the current understanding of this topic, which is important as a basis of radiation chemistry and biology. In addition, we present an initial report of our new work, namely, a generalization of the Spencer-Fano theory to time-dependent cases.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560320728
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  • 3
    Electronic Resource
    Electronic Resource
    Experimental and theoretical studies of small-angle electron scattering by the water molecule (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 30 (1986), S. 821-830 
    Details
    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 total (elastic plus inelastic) intensities of 51 keV electrons scattered by water molecules have been measured over a range of 1 ≦ K = (4π/λ) sin(θ/2) ≦ 12 Å-1. A computer program, ELIC, has been written for calculating the total intensities of electrons scattered by free molecules. The intensities can be calculated with self-consistent field and configuration interaction wavefunctions. The theoretical intensities based on a CI wavefunction are in good agreement with the observed intensities.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560300611
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