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  • 1
    Electronic Resource
    Electronic Resource
    Bond orders and valences in the SCF theory: a comment (1985)
    Springer
    Theoretical chemistry accounts 67 (1985), S. 315-322 
    Details
    ISSN: 1432-2234
    Keywords: Bond orders in ab initio theory ; valences in ab initio theory ; bond orders in semiempirical theory ; valences in semiempirical theory ; free valence index ; Wiberg index
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The calculation of bond order and valence indices for ab initio and semi-empirical wave functions is discussed by emphasizing their relations to the exchange part of the second order density matrix. Comments are also given on a recent work of Gopinathan and Jug, as well as propositions made to avoid ambiguity in the nomenclature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00529303
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Some remarks on the maximum bond order (1991)
    Springer
    Theoretical chemistry accounts 79 (1991), S. 377-378 
    Details
    ISSN: 1432-2234
    Keywords: Bond border index ; Maximum bond order ; Wiberg index ; Jug's index
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Some remarks are given concerning the recent improvement scheme of calculating Jug's “maximum bond border” index.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01114696
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    Paper (German National Licenses)
    Fulltext
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