Core parameter

Some of the core manufacturer s data sheets specify a core parameter that can be compared with the results of the above calculations. The core with the closest or next higher value should be chosen. 

Size and core parameters of globules of different generations... 

Atomic parameters involving 5d electrons The trends for atomic parameters representing effects involving the 5d electron are markedly different from the trends for 4f 1 core parameters, as can be seen from table 1. Whereas the / (ff) and f (ff) parameters show a dramatic increase across the lanthanide series from Pr3"1" to Lu3+, due to the contraction of the 4f orbitals for the heavy lanthanides, the ( (dd) parameter increases much more slowly. This is due to the fact that the 5d orbitals contract much less across the lanthanide series than do the 4f orbitals. Also, the Fk(f ) and CF (fd) parameters decrease gradually, due to the reduced overlap between the 4f and 5d orbitals as the 4f orbitals contract. These calculations are useful for estimating the trends in the parameters across the lanthanide series, once they have been determined for a few ions. 

VOIP, the valence orbital ionization potential, and the one-center core parameter of atom A ... 

Since 1996, HELCOM has integrated the monitoring of heavy metals (Cd, Pb, Cu, Zn, and Hg) in seawater as one of the core parameters for the Baltic Monitoring Programme (BMP) in recognizing their potential risk to the Baltic Sea ecosystem. As seen in Table 13.2, heavy metal loads entering the Baltic Sea have been estimated within the scope of five pollution load compilation reports (HELCOM, 1987,) as well as during the exceptional Oder River flood in summer of 1997 (Pohl et al., 2002). 

A major concern connected with the application of semi-empirical methods to supramolecular problems is that these methods were parameterized to reproduce molecular rather than intermolecular properties. Over the last few years there have been some efforts to improve treatment of the core parameters in semi-empirical methods that play a large role in the nonreproducibility of experimental data [127]. A special problem of semi-empirical methods is that they present an unphysical stabilization effect for short-range H H interactions see the analysis of intermolecular H H interactions in supramolecular chemistry [128] and the history of semi-empirical calculations for this purpose cited therein. 

Note that the energy minimum occurs on the axis, i.e., radial distance r = 0, for the smaller tube, while it lies near r = 0.37 nm for the larger tube. In the case of a Lennard-Jones (LJ) type of pair potential describing the molecule-C pair interaction, with hard-core parameter the transition between these... 

An interesting estimate of the significance of the core parameter can be constructed by harking back to our discussion of the ideal strength concept. There, we noted that when shear stresses reach a value on the order of /r/27r, the forces... 

The 16 core parameters selected by the CEFIC are shown in Table 2.2. 

Now that there is an agreed framework, through the CEFIC, the European chemicals industry has committed itself to reporting on all of the 16 core parameters specified in these guidelines by the year 2002. If this objective is achieved, it could set an example for other industries. 

When a Tucker3 model is used for calculating the scores of a new sample, the loading parameters and the core parameters are usually considered fixed. This turns the problem into a multiple linear regression problem. Assume that the first mode is the sample mode and a new sample, Xnew, of size J x K is given. This sample matrix corresponds in size to one horizontal slice of the original array (Figure 6.4). The problem can be expressed... 

Ramshaw has pointed out that in the y- 0 limit, one can regard the core parameter 0 as a geometric parameter describing the degree of ellipticity of a spheroidal cavity used in defining a local field in a phenomenological mean field treatment. Such a treatment, described by Ramshaw, is the analog of the Debye-Hiickel treatment of a simple ionic fluid. 

Table I. Porphinato core parameters (A) for high- and intermediate-spin five-coordinate ferric derivatives ...

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