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Empirical regularities

From a practical point of view, it would be very desirable to have reliable rules, even if only empirical, which could provide estimates of barrier heights in the absence of experimental data. This would be of obvious use in predicting thermodynamic quantities for stable molecules and would also be most valuable in testing and applying theories of reaction rates. Furthermore, any empirical regularities observed could be helpful in the development of a theoretical treatment of barriers. [Pg.381]

Successful examples of the sort of correlations postulated above would add additional independent pieces of information for use in a combined strategy of noncrystallographic protein structure determination. Empirical regularities such as the handedness of crossover... [Pg.312]

Vibrations of thiophene, selenophene, and symmetrically deuteri-ated derivatives of the rings were assigned to the completely symmetric in-plane type Au mainly on Raman evidence (polarized and, as a rule, intense bands). Stretching vibrations of the CH or CD bonds were assigned using empirical regularities in the Raman frequencies and intensities of the CH bands in thiophene, selenophene, and their derivatives. The assignment to vibrations of type B1 was also made (depolarized bands in the Raman spectra, type B in IR). [Pg.10]

Cavendish, W. (2000). Empirical regularities in the poverty-environment relationship in rural households Evidence from Zimbabwe. World Development, 28 (11) 1979-2003. [Pg.241]

One common problem when examining ultrathin films on various surfaces and at various interfaces by IR spectroscopy is that of selecting both the best IR method [transmission, IR reflection-absorption spectroscopy (IRRAS), ATR, DT, or DR] and the best experimental geometry (optical configuration) for this method. For films on plane substrates, this can be done using the optical theory introduced in Chapter 1 (Sections 2.1-2.6). In the case of powdered substrates, the optimum conditions are chosen based on the general theoretical and empirical regularities (Section 2.7). [Pg.79]

The concept of significant variables presumes their independence. The methods for restoring empirical regularities that are used in QSAR are also intended to be only used in a Euchdean space [1]. However, all of the parameters of a compound description are generated from the same object (the chemical stiucture of the compound), which is why all of the obtained variables are always inter-dependent. Firr-thermore, if the feature space is also nonhnear, then we must at least face the task of adapting the existing QSAR methods to such spaces. [Pg.372]

Despite the fact that the Nernst model is rather rough, it has been used in electrochemical kinetics up till now due to its simplicity and obviousness. It has been established by means of different methods that similar structures actually form in the conditions of natural convection. Their thickness makes up 0.01-0.03 cm however, it is rather difficult to strictly define because it depends on various factors, including the current density i. The empirical regularity const has been established experimentally under the steady-state conditions [1]. It should be mentioned that varies with the potential sweep rate v when a linear variation... [Pg.36]

The empirical regularity found is in agreement with the results of our physico-chemical research work. By X-ray diffiaction and infrared spectroscopic studies, it has been found that the following reaction does occur in the sintering process [147] ... [Pg.304]

This view was largely unexamined in the economic hteramre until the last decade. The empirical evidence that has now begun to surface (Cavallo and Noy 2011) includes several empirical regularities that are described in the sections below. Many questions about the precise description of a typical post-disaster recovery, as well as the idiosyncratic and contingent differences between different recoveries, however, remain open. [Pg.920]

A brief review of the existing empirical evidence on the relationship between R D intensity and concentration indicates that the results are at best mixed. Indeed, it seems that no solid empirical regularities can be detected in the data. On the theoretical side, we are faced with a set of models, each representing a specific situation, with each model providing a different, sometimes unique, equilibrium. [Pg.27]


See other pages where Empirical regularities is mentioned: [Pg.135]    [Pg.311]    [Pg.61]    [Pg.81]    [Pg.81]    [Pg.232]    [Pg.295]    [Pg.26]    [Pg.89]    [Pg.562]    [Pg.154]    [Pg.47]    [Pg.209]    [Pg.219]    [Pg.27]    [Pg.416]    [Pg.171]    [Pg.371]    [Pg.35]    [Pg.38]    [Pg.108]    [Pg.133]    [Pg.168]   
See also in sourсe #XX -- [ Pg.47 ]




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