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  • General Chemistry  (3)
  • 61.55.−x  (1)
  • Engineering
  • 1990-1994
  • 1985-1989  (4)
  • 1986  (4)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 3 (1986), S. 219-222 
    ISSN: 1434-6079
    Keywords: 31.20Tz ; 36.40+d ; 61.55.−x
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The equilibrium geometries, relative stabilities, and vertical ionization potentials of compound clusters involving Li n , Na, Mg, and Al atoms have been calculated using ab initio self-consistent field linear combination of atomic orbitals — molecular orbital (SCF-LCAO-MO) method. The exchange energies are calculated exactly using the unrestricted Hartree-Fock (UHF) method whereas the correlation correction is included within the framework of configuration interaction involving pair excitations of valence electrons. While the later correction has no significant effect on the equilibrium geometries of clusters, it is essential for the understanding of relative stabilities. Clusters with even numbers of electrons are found to be more stable than those with odd numbers of electrons regardless of their charge state and atomic composition. The equilibrium geometries of homo-nuclear clusters can be significantly altered by replacing one of its constituent atoms with a hetero-nuclear atom. The role of electronic structure on the geometries and stabilities of compound clusters is discussed.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für die chemische Industrie 98 (1986), S. 736-737 
    ISSN: 0044-8249
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 25 (1986), S. 31-46 
    ISSN: 0570-0833
    Keywords: Noncrystalline state ; Amorphous materials ; Disorder ; Solids ; Glass transition ; Glasses ; Materials science ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This article sets out to describe and account for the chemical and physical consequences of the presence of gross disorder in solids. Knowledge of the structure of such disordered materials is an obvious prerequisite to a further understanding of other properties and behavior, and our current knowledge of the structure of various noncrystalline systems is discussed together with the experimental techniques which need to be employed in order to obtain such information. The so-called glass transition, which takes place as a liquid is supercooled below the crystallization temperature, is discussed in terms of the various models which have been proposed to account for this phenomenon. The effect of noncrystallinity on electronic properties is also discussed, and we highlight new developments in the understanding of electron localization and transport processes. Finally, two applications of amorphous solids are considered in some detail: optical fibers for use in communication networks and “superionic” glasses for possible use in solid-state batteries.
    Additional Material: 21 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Angewandte Chemie International Edition in English 25 (1986), S. 753-754 
    ISSN: 0570-0833
    Keywords: Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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