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Linear models scalar quantity

All the solvatochromic contributions have been then evaluated following the analytical approaches presented in Sect. 4.1. The values of these quantities, as well as the estimation of the spherical cavity radius have been obtained from QM computations, and are reported in Table 17.3 and Fig. 17.11. In particular. Table 17.3 collects the numerical values of the different contributions, while in Fig. 17.11 the computed induction contributions are plotted together with the experimental data. It is apparent that both the contributions due to the transition dipole moment and to the electrical quadmpole moment are one order of magnitude less important than the contributions due to the electrical dipole moment (we remind that within Suppan-Ghoneim model the quadrupole moment [101] is treated as a scalar quantity this is tme just in case of linear and centro-symmetrical quadmpoles. In the other cases, 0 = Tr(0)/3. [Pg.484]


See other pages where Linear models scalar quantity is mentioned: [Pg.99]    [Pg.174]    [Pg.80]    [Pg.261]    [Pg.1276]    [Pg.201]    [Pg.1276]    [Pg.107]    [Pg.6731]    [Pg.2556]   
See also in sourсe #XX -- [ Pg.206 ]




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