Experimental and theoretical values

Table A2.4.5. Experimental and theoretical values of -i- B2 for various salts in aqueous solution at 291 K.

Fig. 1. Comparison of experimental and theoretical values of Mc at free-radical copolymerization of AAm with MBAA as a crosslinking agent CT — total concentration of monomers, C — that of MBAA C = 10 wt% (/), CT = 6.7 g dl-1 (2). From Baselga et al. [18]...

ADMET reaction. The 13C NMR spectrum also allows the scientist to distinguish between cis and trans internal sp2 carbons as well as the allylic carbons, which are adjacent to the internal vinyl position. Using quantitative 13C NMR analysis, the integration of the peak intensities between die allylic carbon resonances and diose of the internal vinyl carbons gives die percentage of trans/cis stereochemistry diat is present for the polymer.22 Empirically, the ratio of trans to cis linkages in ADMET polymers has typically been found to be 80 20. Elemental analysis results of polymers produced via ADMET demonstrate excellent agreement between experimental and theoretical values. 

The full MSA expression for the capacitance is complex. However, at low ce it is composed of concentration-independent and concentration-dependent terms. 1 The concentration-independent term is not associated with any specific region of the interface, but quantitative agreement between experimental and theoretical values of capacitance at low ceJ is achieved only if the contribution of the metal phase is included. 

Fig. 7. Comparison of experimental and theoretical values of the cross-section for the double capture process.

Experimental and theoretical values of A2 are compared in Table IV. The predictions of A2 and the experimental observations are in good agreement for those experiments in TCB and ODCB where the sample received the 160°C treatment and the "spikes" disappeared. 

The Hirshfeld functions give an excellent fit to the density, as illustrated for tetrafluoroterephthalonitrile in chapter 5 (see Fig. 5.12). But, because they are less localized than the spherical harmonic functions, net atomic charges are less well defined. A comparison of the two formalisms has been made in the refinement of pyridinium dicyanomethylide (Baert et al. 1982). While both models fit the data equally well, the Hirshfeld model leads to a much larger value of the molecular dipole moment obtained by summation over the atomic functions using the equations described in chapter 7. The multipole results appear in better agreement with other experimental and theoretical values, which suggests that the latter are preferable when electrostatic properties are to be evaluated directly from the least-squares results. When the evaluation is based on the density predicted by the model, both formalisms should perform well. 

Comparison of Experimental and Theoretical Values of Isokinetic Sampling Efficiency... 

Evaluate the intrinsic viscosity for each size of spherical particle and comment on the results in terms of the Einstein prediction that [17] should be independent of particle size. Is the fact that benzyl alcohol is only a moderately good solvent for linear polystyrene consistent with the observed deviation between the experimental and theoretical values for [17] Explain. 

Dielectric constants are determined for PDMS chains in the thermodynamically good solvent cyclohexane. Unfortunately, comparison of the experimental values of the dipole moment ratio with those predicted from RIS theory is complicated by pronounced specific solvent effects and comparison of experimental and theoretical values of the temperature coefficient is also difficult because of the very small magnitude of this coefficient. 

In general, the agreement between experimental and theoretical values in aqueous and non-aqueous solution is reasonable, but the estimation of Kyp does require certain assumptions which detract from the apparently reasonable agreement. It can be seen from equations (38) and (39) that a linear relationship between logAIP and l/eR is predicted and this has been observed in several instances.4 68... 

Other comparisons between experimental and theoretical values of the scattering parameters were made by Bransden et al. (1974) and Bransden and Hutt (1975), using techniques based on forward dispersion relations, as described in section 2.2. 

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