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  • 1970-1974  (2)
  • Methinophosphide  (1)
  • Unstable triatomic intermediates  (1)
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  • 1970-1974  (2)
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  • 1
    Electronic Resource
    Electronic Resource
    Near Hartree Fock wave function and computed molecular properties of methinophosphide, HCP (1974)
    Springer
    Theoretical chemistry accounts 35 (1974), S. 237-242 
    Details
    ISSN: 1432-2234
    Keywords: Methinophosphide ; HCP
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A near Hartree Fock wave function for HCP has been calculated within the RHF approximation, using a large STO basis set and this is compared with geometry optimisation calculations using a polarised double zeta basis. The population analysis indicates a C≡P bond, and various one electron properties have been computed and compared with the limited experimental data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00546908
    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. 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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