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Structural indeterminacy

One possible solution is to obtain new experimental data, which is independent of co/pH curves. The zeta potential is of course a possibility, but it suffers from the intrinsic indeterminacy of the exact location in the double layer where it occurs. Another possibility is the surface potential, Vo, which will be defined below. Variations of Vo can be measured by using electrolyte/insulator/semiconductor structures. It has been shown by Bousse et al. (14) that the Vo/pH characteristics are determined mainly by the number of charged but uncomplexed surface sites, and are insensitive to complex-ation. This means that combined consideration of tro/pH and Vo/pH characteristics should lead to a more complete and reliable determination of model parameters. [Pg.80]

A final conclusion can be formulated as follows. The number of the parameters that cannot be determined from the steady-state kinetic data is the same as the number of steps that do not enter into the cycles. The source of indeterminacy of the parameters implies "buffer sequences [Fig. 3(b)] and "bridges between the cycles [Fig. 3(d)]. Note that this estimate refers only to the graph structure when individual reaction weights have not been specified. [Pg.237]

Such observations immediately raise the question how reliable are projections of crystal-field effects onto multipoles The analyses of wavefunction-simulated X-ray data of small model compounds have revealed that the interaction density (8p = p(crystal) — p(isolated molecule)) manifests itself in low-order structure factors, and only to an extent that is comparable with the experimental noise [80]. Nevertheless, the multipole refinement was shown to retrieve this low signal (about 1% in F) successfully. A related study on urea, however, demonstrated that this is not the case if random errors of magnitude comparable with the effect of interaction density are added to the theoretical data [81]. The result also implies that indeterminacies associated with the interpretation of non-centrosymmetric structures can severely limit the pseudoatom model in distinguishing between noise and physical effects [82, 83]. [Pg.456]

Uniqueness of models is an important issue. A unique model is a model where all parameters are identified under the said premises, e.g. structure and additional constraints such as orthogonality. Requiring a model of a matrix to be bilinear is not sufficient for identifying the parameters of the model uniquely. However, if additional constraints are used, the model can become unique. In principal component analysis it is additionally required that the components are orthogonal and extracted such that the first component explains as much variation as possible the second explains as much variation of the yet unexplained part, etc. Applying these additional constraints makes the bilinear model unique (apart from sign indeterminacies). [Pg.98]

The following comments can be made about the shifts of the K and L absorption edges of aluminum. Our calculations predict that the contribution of the shift of the inner levels should be about 1.5 eV in both cases. This value disagrees with the experimental data because of the indeterminacy of the absorption edge positions and because of some underestimation of the shifts of the K and L levels. Moreover, our description of the changes in the electronic structure of aluminum, based on the assumption that the outer electrons are displaced away from aluminum... [Pg.32]

This Indeterminacy may be due to the lack of precision in the measurements of the structure amplitude to the failure to include all the factors which affect the measurements or to... [Pg.58]

Since the structure is symmetric about x = L/2, we can utilize the property of symmetry and thus reduce the problem to one-degree indeterminacy. It can be shown that the deflection of the beam due a unit force at the bent is given by... [Pg.196]

Columbia s recovery window, 227 data indeterminacy, 210-15, 216 McDonald s observations, 340-2 mindful processing, 168-9, 170, 171 organizational learning lens, 258 organizing modes, 209, 210-12 revising assessments, 300-1 role of classification, 202 safety drift, 60-1, 66, 68-9, 74-5, 76 simulated training scenarios, 299, 300 structurally induced inaction, 191... [Pg.370]

Columbia s recovery window, 227 data indeterminacy, 210-14, 216 mindful processing, 168-9 structurally induced inaction, 191 vocabulary of safety, 116-17, 119... [Pg.381]

In this respect there is a strong call [231] then again, to have a completely appropriate alternative for entropy in information theory, which can be complexity so that what the Shannon formula actually measures, is the complexity of structural relationship. Factually in such an algorithmic approach to information theory the entropy of the symbol ensemble is replaced by the program of information required to specify sequence. The entropy of a thermodynamic system is a measure of the extent to which it is not tied down to a particular matter-energy distribution. A complex system, in contrast, requires a structured relationship among elements and such a system must have before-the-fact alternatives, such that one could not predict those structural relationships just from the properties of the elements concerned. Yet once these elements and relationships have been specified, the indeterminacy vanishes. [Pg.191]

This source of energy was discovered in quantum theory, and the principle, as it affects this discussion, can be stated roughly as follows if the electrons in a classical valency structure can be delocalized whilst obeying the Pauli exclusion principle, then the increased indeterminacy in their positions results in the molecule having a lower energy in the ground state than would be expected from the classical structure. [Pg.11]

The idea of constitution suggests that the distribution of technical artefacts in space and time to form a network/framework is not a matter of chance but the result of a series of plans and scripts. One can support the idea of a contextual constitution of things and humans and argue that for an object to be a technical artefact it depends upon some criteria to be satisfied and upon some favourable circumstances to be met. This view is not wrong, basically, although it appears insufficient mainly for reasons of contextual indeterminacy, but also, so to speak, for reasons of modal indeterminacy. The modal approach to constitution makes it explicit that the relations between the elements of a network that otherwise functions as a framework is not only situation-sensitive but also structure-productive. [Pg.268]

From 16 I understand that there should be no indeterminacy in a structure. I tend to design everything as simply supported, not on the grounds that it makes for maximum economy, but that it makes for certainty. Uncertainty may lead to collapse and great expense. [Pg.87]

In this section the general equations (9.33) and (9.34) of VOTR are applied in interpreting Raman intensities of SO2. As was pointed out in Section 8.11, the Raman intensity experiment for bent XY2 molecules is not favorable in deteimining a complete set of molecular polarizability derivatives with respect to normal coordinates. That is why, in order to overcome the indeterminacy problem, a set of polarizability derivatives, with respect to symmetry coordinates for SO2 evaluated by means of ab initio MO calculations, is used [301]. The do/dSj derivatives forming the ag matrix are computed by applying the numerical differentiation approach. Other entries needed in solving the problem are taken from the same source [301]. Structural parameters for the sulfur dioxide molecule are given in Table 9.5. The Cartesian reference system and definition of internal coordinates and unit bond vectors are shown in Fig. 9.2. The a tensor employed in the calculations is as follows (in units of or rad" ) [301],... [Pg.232]

But errors can also result in exchange of information between systems whose chemical representations seem on the surface to be quite similar. These errors result from the indeterminacy of translating structural types that are difficult to represent (for example, organometallics, tautomers) precisely in the computer. [Pg.30]


See other pages where Structural indeterminacy is mentioned: [Pg.146]    [Pg.146]    [Pg.146]    [Pg.146]    [Pg.143]    [Pg.360]    [Pg.294]    [Pg.345]    [Pg.469]    [Pg.234]    [Pg.77]    [Pg.52]    [Pg.3]    [Pg.327]    [Pg.5]    [Pg.223]    [Pg.139]    [Pg.149]    [Pg.374]    [Pg.374]    [Pg.387]    [Pg.71]    [Pg.204]    [Pg.361]    [Pg.267]    [Pg.13]    [Pg.255]   
See also in sourсe #XX -- [ Pg.146 ]




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Indeterminacy

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