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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 59 (1980), S. 321-332 
    ISSN: 1432-2234
    Keywords: Electronic energy ; Potential energy surfaces ; Isoelectronic molecules ; Upper and lower bounds for energy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Within the Born-Oppenheimer approximation an inequality relation is derived between points of electronic energy hypersurfaces of pairs of isoelectronic molecules. The inequality is directly applicable to point pairs fulfilling a symmetry criterion for the nuclear frameworks and it may be extended to coordinate domains on both hypersurfaces. The result is applied to special examples of conformational problems, dissociation reactions and impurity —vacancy centres in solid clusters.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 59 (1981), S. 321-332 
    ISSN: 1432-2234
    Keywords: Electronic energy ; Potential energy surfaces ; Isoelectronic molecules ; Upper and lower bounds for energy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Within the Born-Oppenheimer approximation an inequality relation is derived between points of electronic energy hypersurfaces of pairs of isoelectronic molecules. The inequality is directly applicable to point pairs fulfilling a symmetry criterion for the nuclear frameworks and it may be extended to coordinate domains on both hypersurfaces. The result is applied to special examples of conformational problems, dissociation reactions and impurity —vacancy centres in solid clusters.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
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