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  • 1
    Electronic Resource
    Electronic Resource
    Floating spherical Gaussian orbital (FSGO) studies with a model potential: Application to two-valence-electron systems (1976)
    Springer
    Theoretical chemistry accounts 41 (1976), S. 329-333 
    Details
    ISSN: 1432-2234
    Keywords: Model potential ; FSGO ; Two-valence-electron systems
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A Gaussian based model potential is used within FSGO formalism to study a series of two-valence-electron diatomics (Li2, Na2, K2, LiH, NaH, KH, MgH+, CaH+, LiNa, LiK and NaK) and triatomic ions (H2Li+, H2Na+, Li2Na+, Na2Li+, Li 3 + , Na 3 + , Li2H+ and Na2H+). Results for calculated equilibrium geometries, force constants, and energy changes for certain chemical reactions are compared to the corresponding quantities from available all-electronab initio studies and experimental results. The predicted results are generally satisfactory.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01178001
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    The interaction of nitrogen and carbon monoxide with certain ions and neutral species (1982)
    Springer
    Theoretical chemistry accounts 60 (1982), S. 579-587 
    Details
    ISSN: 1432-2234
    Keywords: Nitrogen fixation ; Nitrogen complexes ; Carbon monoxide complexes ; Electronic effects
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract MNDO method is used to study the interaction of nitrogen and carbon monoxide molecules with a proton, hydrogen atom, hydride ion, hydrogen molecule ion and hydrogen molecule. Predicted geometries and heats of reaction of different complexes are presented. The wave functions are analyzed in terms of ground state charge distributions and overlap populations. Electronic effects accompanying complexation are also discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00549613
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
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