Comparison of calculated and measured

Fig. 4. Effect of solid holdup on gas holdup at Fig. 5. Comparison of calculated and measured different superficial gas velocities gas holdup...

Fig. 5.7 Comparison of calculated and measured Fe quadrupole splittings. Nuclear quadrupole moments of 0.158 bam (nonrelativistic DFT) and 0.156 bam (ZORA) were used in the calculations (taken from [25])...

Figure 14.2 Comparison of calculated and measured hardnesses of non-silicate glasses (after Yamane and Mackenzie, 1974).

Figure 11. Comparison of calculated and measured birefringence for different Si02 cladding thicknesses for a trapezoidal waveguide formed in a 2 im thick Si layer as shown in the inset. The ridge base width is 3.8 p,m, the top width is 1.1 pm, and the etch depth is 1.47 pm.

A comparison of calculated and measured proton affinities (basicities) of nitrogen bases relative to the proton affinity of ammonia as a standard is provided in Table 6-17. The calculations correspond to the usual theoretical models, and the experimental data derive from equilibrium measurements in the gas phase. The data span a large range the proton affinity of the strongest base examined, quinuclidine, is some 27 kcal/mol greater than that of the weakest base, ammonia. 

Figure 19. Comparison of calculated and measured signals using the M(t) shown in Fig. 18. (a) Three-pulse echo peak shift, (b) transient grating, and (c) transient absorption. A pulse duration of 16 fs (20 fs for transient grating) and a detuning of 230 cm-1 are used in the calculated signals. The peak near T = 0 in the transient grating and transient absorption signals, usually referted to as the coherent artifact, arises from the ultrafast decay (sum of intramolecular vibrational contribution and -100 fs ultrafast solvation dynamics) in M(t).

Table I. Comparison of calculated and measured d-spacings for dry, annealed curdlan fibre. The reflections are indexed on a hexagonal unit cell of dimensions a = b = 1.438 nm, c (fibre axis) = 1. 746 nm.

Comparisons of calculated and measured quenching rates provide a useful measure of the accuracy of the wave function used for the system. As an example, the value of Ze for helium calculated from the zero energy static-exchange wave function of Barker and Bransden (1968) is 0.0347, or 0.0445 when the van der Waals potential is added to the static-exchange equation however, the experimental value obtained by Coleman et al. (1975b) at room temperature is 0.125 0.002 (see section 7.3). This rather large discrepancy, a factor of three, shows that the static-exchange wave function provides a poor representation of the electron-positron correlations in this system. 

Table II. Comparison of Calculated and Measured Isotope Yields for 13 HFIR Targets Processed During TRU Campaign 59.

Eventually, the configuration proof was based on a comparison of calculated and measured CD spectra (Scheme 17). The absolute configuration is in line with a coordination of the substrate to the template and a subsequent cyclisation of the a-aminoalkyl radical to the quinolone core from the most accessible face, that opposite to the shield. 

Recently, Heiberg et al. [26] have studied polarizabilities of the intermolecular contacts in bis(ethylenedithiolo)tetrathiafulvalene (BEDT-TTF) and bis(ethylenedioxy)tetrathiafulvalene (BEDO-TTF) molecular crystals by polarizing microscope techniques. The principal refractive indices and the corresponding optical axes have been calculated by tensorial addition of the bond polarizabilities of all bonds in the molecules. Comparison of calculated and measured values of the relative polarizabilities showed that the polarizabilities of the molecules only cannot yield the measured indicatrix and axes angle. Thus polarizabilities with other orientations must be involved. From the crystal structure of the molecular crystals it is known that 10 and four different contacts exist between the molecules of BEDT-TTF and BEDO-TTF, respectively, with contact distances lower than van der Waals distances. Assigning of polarizabilities of these contacts can explain the measured behavior. 

Fig. 14.1. Comparison of calculated and measured sputtering yields of beryllium as a function of the incident ion energy for a variety of projectiles at normal incidence. Calculated values are taken from [7], measured values from [9]...

Fig. 7.5. Comparison of calculated and measured conductivity of n-type a-Si H in the frozen state. The calculation assumes a conductivity prefactor of 100 cm" (data from Fig. 6.3).

Table 8 Comparison of calculated and measured relative K(3/Ka ratios.

Table 12 Comparison of calculated and measured relative ratios, (A fij A a)Ec/(A A o )pi.

Comparison of calculated and measured ammonia concentrations at the effluent of a steady-steady ammonia synthesis reactor containing ruthenium particles supported on magnesia and promoted by cesium. [Adapted from O. Hinrichsen. F Rosowski, M. Muhler, and G. Ertl, The Microkinetics of Ammonia Synthesis Catalyzed by Cesium-Promoted Supported Ruthenium, Chem. Eng. Sci., 51 (1996) 1683, copyright 1996, with permission from Elsevier Science.]... 

H.C. Gupta, R.L. Steinberger and F.V. Bracco, Combustion in a Divided Chamber, Stratified Charge, Reciprocating Engine Initial Comparisons of Calculated and Measured Flame Propagation, Comb. Sci. Tech. 22 (1980) 27. 

Comparisons of calculated and measured temperature distributions in the bed are shown in Fig.6. 

Figure IS Comparison of calculated and measured velocities within the burnout chamber, top u, w-velocity component, height z = -90 mm bottom u, w-velocity component, height z = 100 mm...

A further comparison of calculated and measured CO-concentrations and temperatures, given in Figure IS. show also a good correspondence. Differences between measured and calculated data, especially for the temperatures can be put down to the already mentioned fact of an incorrect predicted size of the recirculation zone in the upper left part of the burnout zone by the numerical model. However, the experimental determination of gas concentrations as well as of gas and wall temperatures is often in involved with uncertainties and measuring errors, especially under the prevailing instationary conditions within a domestic wood heater. 

In figures 7 and 8 the comparison of calculated and measured values are shown. 

Table 1 Comparison of Calculated and Measured Tryptic Peptides of Chicken Ovalbumin from PEC-MS...

Fig. 5 Comparison of calculated and measured ECP for the Leibstadt BWR. The measured data were acquired in a test cell attached to the recirculation piping.

The 9mOsmol/kg added to the above equation represents the contribution of other osmoticaUy active substances in plasma, such as K", Ca " ", and proteins, and 1.86 is two times the osmotic coefficient of Na, reflecting the contributions of both Na and CT. The reference interval for plasma osmolality is 275 to 300mOsmol/kg. Comparison of measured osmolality with calculated osmolality can help identify the presence of an osmolal gap, which can be important in determining the presence of exogenous osmotic substances. Comparison of calculated and measured osmolalities can also confirm or rule out suspected pseudohyponatremia caused by the previously discussed electrolyte exclusion effect. 

Bogaerts A., Donko Z., Kutasi K., Bano G., Pinhao N. and Pinheiro M. (2000) Comparison of calculated and measured optical emission intensities in a direct current argon-copper glow discharge, Spectrochim Acta, Part B 55 1465-1479. 

Figure 7-34. Comparison of calculated and measured data for the enzymatic synthesis of dihydroxyphenyllactic acid in an EMR11 91.

Figure 3-15. Comparison of calculated and measured pressure distribution and film thickness. (a) Load 100.3 kN/m, speed 1.3 m/s. (b) Load 100.3 kN/m, speed 5.18 m/s. Data by Hamilton and Moore [18].

Because gammas are detected by the NE 213 scintillator mainly through Compton interactions, the response function of the detector consists of the Compton continuum. The response function has been calculated and measured for several gamma energies. Figure 12.19 shows a comparison of calculated and measured response functions. 

Figure 7.28. Comparison of calculated and measured ammonia production over commercial iron-based catalysts for a broad range of temperatures, pressures, N/H ratios, and gas flows 1192].

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