Numéro
J. Phys. II France
Volume 1, Numéro 10, October 1991
Page(s) 1179 - 1196
DOI https://doi.org/10.1051/jp2:1991127
References of J. Phys. II France 1 1179-1196
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  29. Cndo parameters for Ni : 1/2(I + A ) 4s = 4.30 eV, 1/2(1 + A ) 4p = 1.30 eV, 1/2(I + A ) 3d = 10.00 eV ; $\beta_{4\textrm{sp}}$ = -6 eV, $\beta_\textrm{{3d}} = -10$ eV ; exponents $\xi_{\textrm{4s}} = \xi_{\textrm{4p}} = 1.80$, $\xi_{\textrm{3d}} = 2.50$ ; distance Ni-C = 1.79 Å; Cndo parameters for Cr : 1/2(I + A ) 4s = 3.91 eV, 1/2(1 + A ) 4p = 0.88 eV, 1/2(I + A ) 3d = 4.82 eV ; $\beta_{4\textrm{sp}} = -5.5$ eV, $\beta_\textrm{{3d}} = -17.3$ eV ; exponents $\xi_{\textrm{4s}} = \xi_{\textrm{4p}} = 1.28$, $\xi_{\textrm{3d}} = 3.25$ ; distance Cr-C = 1.826 Å.
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  32. In this paper, we are dealing with either positive ions or neutral species, according as the valence parity of atom M is odd or even, in order to work with $\ll$ closed shells $\gg$. So it is easier to understand in a reasoning without any calculation, the behaviour of such aggregates. However, to get more precise results, calculations of $\Delta^{+}_{n}$ are carried out below (Tabs. Ii and Iv) for closed- or open-shells clusters according to the experimental data.
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