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  • 1
    Electronic Resource
    Electronic Resource
    Quantum-chemical definition of the atomic valence in molecules and crystals (1991)
    Springer
    Theoretical chemistry accounts 81 (1991), S. 95-103 
    Details
    ISSN: 1432-2234
    Keywords: Valency ; Electron structure ; CNDO calculation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A new quantum-chemical definition is given of the full atomic valence taking into account both the covalent and ionic parts of the chemical bonds formed by an atom in molecules and crystals. Full valence is close to formal (“classical”) valence of an atom in a wide row of compounds. The theoretical consideration and the CNDO calculations of molecules and crystals are made to justify the validity of the full valence definition.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01113380
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Quantum chemical calculation of nickel and copper atomic valencies in crystalline oxides (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 295-299 
    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 new quantum chemical definition is proposed of the full atomic valence, VA, taking into account both the covalent and ionic parts of the chemical bonds formed by atoms in molecules and crystals. The full atomic valencies, covalencies, and charges on atoms are calculated for nickel-oxygen crystalline compounds in the CNDO band theory approximation. A comparison of the chemical bonding in nickel and copper crystalline oxides is given. © 1994 John Wiley & Sons, Inc.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560520204
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    Paper (German National Licenses)
    Fulltext
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