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  • 1985-1989  (2)
  • 1955-1959
  • 1987  (2)
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  • 1985-1989  (2)
  • 1955-1959
Year
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Physics and chemistry of minerals 15 (1987), S. 191-195 
    ISSN: 1432-2021
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Abstract A relation between hardness (H) for minerals and compressibility (β) is proposed: $$H = \frac{M}{{\rho q\beta }}$$ , where M is the molecular weight, ρ the density and q the number of atoms in a formula unit. The relation is derived from thermodynamics and is based on an analogy between mineral hardness and the concept of hardness assumed for the classification of reactivity of molecular species. It is confirmed with 27 elemental solids and 66 crystalline compounds, that this simple relation fairly well describes the trend of experimental hardnesses of minerals, and that the new relation has advantages over one earlier proposed [Plendl et al. (1965)] for connecting hardness to compressibility.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 72 (1987), S. 379-391 
    ISSN: 1432-2234
    Keywords: Electronic structure ; Bond electronegativity ; Bond hardness
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The new ideas ofbond electronegativity andbond hardness are introduced, and a semiempirical density functional approach to the theory of molecular electronic structure and chemical binding is outlined. There result effective electronegativity equalization procedures that permit calculation of binding energies as well as partial charges. By a modelling of the bond electronegativity and bond hardness, a density functional interpretation of earlier bond charge models is established. Some numerical results are given for diatomic molecules.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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