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  • 1
    Electronic Resource
    Electronic Resource
    Electronic structure of unstable intermediates (1973)
    Springer
    Theoretical chemistry accounts 31 (1973), S. 347-353 
    Details
    ISSN: 1432-2234
    Keywords: Unstable intermediates ; Calculated geometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The geometry of the species OCC has been investigated within the restricted Hartree-Fock LCAO-MO-SCF approximation. Several one electron properties have been calculated at the calculated minimum energy configuration of R(O-C)=2.121 bohr, R(C-C)=2.58 bohr.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00527561
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Electronic structure of unstable intermediates (1974)
    Springer
    Theoretical chemistry accounts 35 (1974), S. 267-271 
    Details
    ISSN: 1432-2234
    Keywords: HBO, electronic structure of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The geometry of the linear molecule HBO, has been investigated within the restricted Hartree-Fock LCAO-MO-SCF approximation. The calculated bond lengths for the near Hartree-Fock calculation were R(H-B)=2.1913 bohr, R(B-O)=2.2284 bohr. Several one electron properties have been calculated for the minimum energy configuration.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00546912
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Electronic structure of unstable intermediates (1974)
    Springer
    Theoretical chemistry accounts 35 (1974), S. 261-265 
    Details
    ISSN: 1432-2234
    Keywords: NCO molecule ; Unstable triatomic intermediates
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The geometry of the ground state of the linear molecule, NCO, has been investigated within the restricted Hartree-Fock LCAO-MO-SCF approximation. Several one-electron properties have been calculated at the computed geometry for the BA+P basis set, for which the bond lengths are R(N-C)=2.3167 bohr, R(C-O)=2.1426 bohr.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00546911
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
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