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Arbitrary weights

Arbitrary weighting functions can be used for the OS method. The simplest choice is w(AU) = 1 for all AU, thus the OS formula reduces to ... [Pg.231]

In words, s describes the interaction of the solute charge distribution component p, with the arbitrary solvent orientational polarization mediated by the cavity surface. The arbitrary weights p,, previously defined by (2.11), enter accordingly the definition of the solvent coordinates, and reduce, in the equilibrium solvation regime, to the weights tv,, such that the solvent coordinates are no longer arbitrary, but instead depend on the solute nuclear geometry and assume the form se<> = lor. weq. In equilibrium, the solvent coordinates are correlated to the actual electronic structure of the solute, while out of equilibrium they are not. [Pg.265]

T matrix that maps off-diagonal elements of matrix

maps vector t into off-diagonal elements of (P u arbitrary weights... [Pg.215]

In (i), rales of thumb based on engineering experience are applied so as to generate good initial process flowsheets which are subsequently improved via a set of evolutionary rales applied in a systematic fashion. The principle advantage of (i) is that near optimal process flowsheets can be developed quickly at the expense, however, of not being able to evaluate the quality of the solution. An additional drawback of (i) is the potential conflicting rales which imply arbitrary weighting schemes for the considered alternatives. [Pg.232]

Figure 2.12 Calculated VCD spectra resulting from a combination of the spectra of (S)-(—)-3-butyn-2-ol monomers in CCI4 and dimers in pure alcohol, obtained by introducing three different arbitrary weights corresponding to 75 25, 50 50, and 25 75 percentages of monomers and dimers, respectively. Experimental spectra at different concentrations in CC/4 are also reported (right-hand panel). Figure 2.12 Calculated VCD spectra resulting from a combination of the spectra of (S)-(—)-3-butyn-2-ol monomers in CCI4 and dimers in pure alcohol, obtained by introducing three different arbitrary weights corresponding to 75 25, 50 50, and 25 75 percentages of monomers and dimers, respectively. Experimental spectra at different concentrations in CC/4 are also reported (right-hand panel).
About 1975 the ASTM specifications for gypsum board were changed to eliminate arbitrary weight limits and substitute performance tests. The tests added were humidified sag resistance core, end, and edge hardness and nail pull... [Pg.3]

It is shown below that the weight of an observation is, in theory, inversely as its probable error in practice, it is usual to assign arbitrary weights to the observations. For instance, if one observation is made under favourable conditions, another under adverse conditions, it would be absurd to place the two on the same footing. Accordingly, the observer pretends that the best observations have been made more frequently. That is to say, if the observations av a2,. . ., an, have weights pv p2,. . ., pn, respectively, the observer has assumed that the measurement ax has been repeated p1 times with the result av and that an has been repeated pn times with the result an. [Pg.549]

W is an arbitrary weighting function and <,> represents integration over phase space ... [Pg.186]

This model also relies on assigning arbitrary weights to some parameters and calculating the probability. While this model does not particularly consider MIC, and in doing so, it is just specific types of bacteria that are considered, what makes it different from similar models is that it also pays attention to calculating the assigned economical loss. The model was used in software compatible with Windows 2000/XP. The software was in the form of a few questionnaires, where the answers by the user are calculated and the results are expressed as the likelihood of corrosion in the internal system, external system, and system as percentages. [Pg.110]

The property under consideration is named in column 1. The importance of this property in terms of its contribution to product performance is listed in column 2 - an arbitrary weighting, ranging from, say, 1 (minor importance) to 10 (very important) can be used. In practice this exercise need not be too time consuming because a number of properties can... [Pg.264]

These measures give a somewhat arbitrary weighting to the various scales in the problem, but separating large and small scale effects can lend important insight into the progression of the mixing. [Pg.1381]

In addition or alternatively to these fields, hydrophobic fields, calculated e.g., by the program HINT, or GRID fields can be used. Arbitrary weights may be attributed to the different fields. An appropriate scaling of all variables has to be performed if additional properties, e.g., the lipophilicity parameter log P P = n-octanol/water partition coefficient), are included, to give a comparable weight to the individual fields and the single parameter(s). [Pg.453]


See other pages where Arbitrary weights is mentioned: [Pg.242]    [Pg.209]    [Pg.244]    [Pg.249]    [Pg.30]    [Pg.321]    [Pg.177]    [Pg.150]    [Pg.162]    [Pg.179]    [Pg.45]    [Pg.7]    [Pg.998]    [Pg.32]    [Pg.340]    [Pg.551]    [Pg.552]    [Pg.190]    [Pg.55]    [Pg.151]    [Pg.37]    [Pg.414]    [Pg.455]    [Pg.235]    [Pg.173]    [Pg.403]    [Pg.102]    [Pg.390]    [Pg.55]    [Pg.56]    [Pg.231]    [Pg.197]    [Pg.284]    [Pg.1101]    [Pg.68]   
See also in sourсe #XX -- [ Pg.151 ]




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