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  • 1995-1999  (4)
  • 1
    Electronic Resource
    Electronic Resource
    A new grid-free density-functional technique: Application to the torsional energy surfaces of ethane, hydrazine, and hydrogen peroxide (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 7124-7138 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We describe the implementation of a new grid-free density-functional technique for exchange-correlation potentials of ρ1/3 form (exchange-only local density-functional theory potentials). The potential is fitted to integrable functional forms by solving a set of nonlinear equations, rather than by fitting on a three-dimensional grid of points. This completely analytical method produces smooth energy surfaces and exact energy gradients. The method is found to be several times faster computationally in single-point calculations than a comparable grid-based method with a moderate number of grid points, and it is more than an order of magnitude faster for geometry optimizations. The analytical method is tested on the torsional energy surfaces of the classic isoelectronic series C2H6, N2H4, and H2O2, using the Hartree–Fock–Slater potential (α=2/3). The locations and relative energies of energy extrema, and the structural variations across the potential surfaces, are in good agreement with experimental data and the results of high-quality ab initio studies. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473734
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Appraisal and access: we should expect changes driven by the media and by public awareness (1998)
    Bingley : Emerald
    Records management journal 8 (1998), S. 3-9 
    Details
    ISSN: 0956-5698
    Source: Emerald Fulltext Archive Database 1994-2005
    Topics: Information Science and Librarianship
    Notes: A statement of personal opinion on some of the effects of media discussion of issues with a records component. Appraisal of records for retention and the access to be given to users of these are singled out. Effects of electronic records management are included. Accountability is seen as the main principle in the appraisal of public records, but is extended to the private sector in such matters as environmental protection. Access is affected by the opening of the hitherto secret records of Eastern Europe, but also by new legal provision for data protection and freedom of information. Principles for further development of professional action in records and archives management are suggested.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1108/EUM0000000007227
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Stetkevych, Jaroslav: Muḥammad and the Golden Bough: Reconstructing Arabian Myth : Bloomington and Indianapolis, Indiana University Press, 1996 (1999)
    New York : Cambridge University Press
    International journal of Middle East studies 31 (1999), S. 290-291 
    Details
    ISSN: 0020-7438
    Source: Cambridge Journals Digital Archives
    Topics: Ethnic Sciences , History , Political Science
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1017/S0020743800054155
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Liquid crystalline oligomeric and polymeric phthalocyanines (1995)
    Weinheim : Wiley-Blackwell
    Advanced Materials 7 (1995), S. 877-880 
    Details
    ISSN: 0935-9648
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/adma.19950071015
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    Paper (German National Licenses)
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