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  • Articles  (2)
  • Atomic, Molecular and Optical Physics  (1)
  • Carbon black  (1)
  • 1980-1984  (2)
  • 1982  (2)
  • Chemistry and Pharmacology  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Calculation of periodic molecular systems with perturbed periodicity within the PCILO framework. I. Method (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 21 (1982), S. 711-716 
    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 method within the PCILO framework for the study of periodic molecular systems involving impurities is described regarding a one-dimensional chain. The calculation of the whole system is reduced to the calculation of subsystem pairs only. By use of the first-neighbor approximation only one or two subsystem pairs must be considered for subsystems with identical or differing surroundings, respectively. The procedure described yields the ground state energies and charge distributions of the subsystems.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560210405
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  • 2
    Electronic Resource
    Electronic Resource
    Analysis of nitrated polycyclic aromatic hydrocarbons by glass capillary gas chromatography using different detectors (1982)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 5 (1982), S. 19-26 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography, glass capillary ; Selective detection ; Nitrated polycyclic aromatic hydrocarbons ; Carbon black ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Glass capillary gas chromatography has been investigated as a method for the analysis of nitrated polycyclic aromatic hydrocarbons (nitro-PAH) using both splitless and on-column injection techniques. The nitro-PAH showed good chromatographic performance and thermal stability under the GC conditions used. Retention times and response factors of several nitro-PAH were compared to those of conventional PAH.Simultaneous flame ionization and thermionic nitrogen selective detection was used to facilitate identification of nitro-PAH in complex samples. The feasibility of the method is demonstrated on two samples of commercial carbon black. Besides 1-nitropyrene several isomeric dinitropyrenes have been identified.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240050104
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    Paper (German National Licenses)
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