Radial distributions for

The Fourier transform of the EXAFS of Figure 5 is shown in Figure 6 as the solid curve It has two large peaks at 2.38 and 2.78 A as well as two small ones at 4.04 and 4.77 A. In this example, each peak is due to Mo—Mo backscattering. The peak positions are in excellent correspondence with the crystallographically determined radial distribution for molybdenum metal foil (bcc)— with Mo—Mo interatomic distances of2.725, 3.147, 4.450, and 5.218 A, respectively. The Fourier transform peaks are phase shifted by -0.39 A from the true distances. 

F%. 12. Experimental (---) and theoretical -) radial distributions for the FeBr2 + Fe2Bt4... 

Radial distribution for concentrations of the different components and the temperature inside the reactor are uniform. 

So, let us concentrate on the matter of the fitting of mathematical expressions to the numerical data for the radial distributions for the electrons in many-electron atoms. Maybe it is appropriate to use an effective atomic number, Zes, rather than the full Z in the equations in Table 1.1. Such a change is consistent with the view that the other electrons screen some, but not all, of their nuclear protonic charges in many-electron atoms. 

Pig. 8. Dependence of the IR-UV delay time on the peak position of the radial distribution for EC6H4(0H)2 (H20) (1 n 8) in the early-time domsdn [panel (a)] and in the late-time domain [panel (b)]. Both of the peak positions shift almost linearly with increasing the delay time. The slopes of the lines shown in panels (a) and (b) give the velocities of 1300 100 m and 400 300 m s , respectively. 

A quantitative analysis of counterion localization in a salt-free solution of star-like PEs is described in [29, 37]. Radial distributions for both the electrostatic potential and the density of counterions were obtained by a numerical solution of the corresponding PB problem within a cell model. The conformational degrees of freedom of the branches of a central star were accounted for within the SF-SCF method [120]. Due to the computational efficiency, the SF-SCF framework allows for a systematic study of a many-armed star with sufficiently long arms in a large cell. The range of the parameters that could be covered by the SF-SCF method exceeds that of contemporary MD and MC simulations. 

In Fig. 11 we show an example of the relevant radial distributions for an equilibrium micelle composed of a symmetric ionic/non-ionic diblock copolymer with a... 

Fig. 7.6. The radial distribution for liquid Te at 500°C and 800°C. The interference functions calculated by back transferring these g(r) are shown in the inset.

Another perspective on the time-dependent microstructural evolution in supercooled liquids was presented by a new resolution of the radial distribution function. The concept of neighbourship was invented by Keyes. " The g(r) was resolved into a series of separate radial distributions for the first neighbour, second neighbour and so on." As the temperature decreased it was found that these shells became more radially separated and that the dynamics of the first shell departed from a simple diflusive model, which is indicative of the onset of slow collective cluster dynamics." ... 

Fig. 4.34 Experimental (dots) and calculated (solid line) radial distributions for SiMe4. The vertical scale is arbitrary. The shortest distances (C-H and Si-Q correspond to bonded contacts, and the remaining ones to non-bonded contacts. [Redrawn with permission from 1. Hargittai et al. (2009) Encyclopedia of Spectroscopy and Spectrometry, Elsevier, p. 461.]...

FIGURE 6.1 Comparison of the calculated and experimental functions of radial distribution of supercooled melts (a) Cu, (b) Ni, (c) Au. The experimental data by Waseda [ 14] are used. In the insert (d), the evolution of the calculated function of radial distribution for Au at supercooling of the melt is shown. 

Newman projections of four rotamers of sulphonyl chloride isocyanate representing view along the S-N bond. The two forms with 109 and 70 rotation angles (0° corresponds to the form in which the S-Cl bond is anti to the 0=C=N chain) were found to coexist in the vapour with a 2 1 relative abundance. The radial distribution for this mixture (T) as well as for the individual conformers are shown, together with the experimental curves... 

Fig. 5. Lateral Cl self radial distribution for the [C3dmim][Tf2N] and [C9dmim][Tf2N] compounds. The vertical lines identify the Cl-Cl distances attained in the gas by the ionic complex with two Tf2N or in the isolated cation.

Fig. 4. The radial distribution for a hard-sphere fluid as calculated from the Percus-Yevick equation by Throop and Bearman (1965). The dashed lines represent the function y(r) = exp [u(r)]g(r). Notice that y(r) is a continuous function at r = a. (McQuarrie, 1976)...

Fig. 21.41 Abel inverted spray data (radial distribution) for different concentrated PVP K30 solutions (ALR = 0.25,...

Figure 14.2 Radial distribution function [r R J of the atomic pseudo-orbitals of uranium for the 60e— RECR Note the node in the radial distribution for the 6d orbital (lower panel) in the region where the 5f has its maximum. The node is determined by the requirement that the 6d orbital be orthogonal to the 5d orbital, and effect present In all-electron approaches, but missing in the large-core RECPs, which fold the 5d orbital Into the core. Reprinted with permission from Batista et al. [39] Copyright 2004, American Institute of Physics...

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