Fortschritte Der Hochpolymeren-Forschung by FORTSCHRITTE DER HOCHPOLYMEREN FORSCHUNG -


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The 1st NATO technological know-how discussion board used to be held in Biarritz in September 1990. This Taormina convention is the second one in a sequence that we want to be a protracted one and that i think that it has equalled the good fortune of its predecessor. In developing those conferences the NATO technological know-how Committee desired to assemble prime specialists to check fields of sturdy current curiosity.

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3] S. Fliszir, ‘Atoms, Chemical Bonds and Bond Dissociation Energies ’( Lecture Notes in Chemistry 63), Springer-Verlag, Heidelberg, Berlin, 1994. [4] S. Fliszir, N. Desmarais, G. Dancausse. Can. J . C h m . 70, 537 (1992); N. Desmarais, G. Dancausse, S. Fliszar, Can. J . Chem. 71, 175 (1993). [5] N. Desmarais. S. Fliszir, Theor. Chtm. Acfa 94. 1S7 (1996). [6] S. Fliszir, Thcor. Chern. Acc. 96, 122 (1997). [7] P. Politzer, J . Chem. Phys. 64. 4239 (1976); P. Politzer, J. Chem. Phys. 69, 491 (1978).

Schmeising, J. Chem. ,35, 288 (1961) [54] G. Berthier, G. Del Re and A. Veillard, Nuovo Cim. Carpentieri Theor. Chim. Acta, 6,36 (1966) 1561 M. Bagatti, Tesi di Laurea, Universita di Modena (1990) private communication of Prof. A. A. Pozzoli, A. Rastelli and M. Tedeschi, J. Chem. Far. I1,69,256 (1973) [58] V. Barone, J. Douady, Y. Ellinger and R. Subra, J. Chem. Far. Trans II,75, 1597 (1979) [59] C. Barbier, G. Berthier, D. Piazzola and G. Del Re, J. Molec. Struct. (THEOCHEM), 259,59 (1992) [60] G.

The addition of five d orbitals to an s and p set, either as extra orbitals in the second period (the third row) from silicium to chlorine, or as valence orbitals for transition metal complexes is taking into account straightforwardly by raising the dimensions of the block matrices up to nine [60]. However, mixing the d functions added to the valence orbitals of nonmetals, for instance sulphur, or keeping them in their primitive form, has not a great importance, because they play just a role of polarization functions in molecular structure calculations using hybridization [61].

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