Important feature

The method used here is based on a general application of the maximum-likelihood principle. A rigorous discussion is given by Bard (1974) on nonlinear-parameter estimation based on the maximum-likelihood principle. The most important feature of this method is that it attempts properly to account for all measurement errors. A discussion of the background of this method and details of its implementation are given by Anderson et al. (1978). 

The predicted cumulative cash-flow curve for a project throughout its life forms the basis for more detailed evaluation. Many quantitative measures or indices have been proposed. In each case, important features of the cumulative cash-flow curve are identified and transformed into a single numerical measure as an index. 

When implementing CBR systems one has to able to define and implement the methods to distinguish between data from different classes. This is a more difficult problem than when constructing a simple data classifier, as the important parameters cannot be simply determined based on a set of examples. One has to have some a-priori knowledge about the important features that distinguish various data classes, as well as anticipate possible data forms that can be encountered during future inspections. This may necessitate the use of more features to describe the problem than a comparable classifier would use. When determining the data... 

In this work, a microwave interferometric method and apparatus for vibration measurements is described. The principle of operation is based on measurement of the phase of reflected electromagnetic wave changing due to vibration. The most important features of the method are as follows simultaneous measurement of tlie magnitude and frequency of the rotating object high measurement accuracy weak influence of the roll diameter, shape and distance to the object under test. Besides, tlie reflecting surface can be either metallic or non-metallic. Some technical characteristics are given. 

In a regression approach to material characterization, a statistical model which describes the relation between measurements and the material property is formulated and unknown model parameters are estimated from experimental data. This approach is attractive because it does not require a detailed physical model, and because it automatically extracts and optimally combines important features. Moreover, it can exploit the large amounts of data available. 

The discovery of perfect geodesic dome closed structures of carbon, such as C o has led to numerous studies of so-called Buckminster fullerene. Dislocations are important features of the structures of nested fullerenes also called onion skin, multilayered or Russian doll fullerenes. A recent theoretical study [118] shows that these defects serve to relieve large inherent strains in thick-walled nested fullerenes such that they can show faceted shapes. 

The lubricating properties of tears are an important feature in normal blinking. Kalachandra and Shah measured the coefficient of friction of ophthalmic solutions (artificial tears) on polymer surfaces and found no correlation with viscosity, surface tension or contact angle [58]. The coefficient of friction appears to depend on the structure of the polymer surfaces and decreases with increasing load and sliding speed. 

One then speaks of Fas a state fiinction because it is a fiinction only of those variables that define the state of the system, and not of the path by which the state was reached. An especially important feature of such fiinctions is that if one writes DF as a fiinction of several variables, say v, y, z,... 

The structure of a fluid is characterized by the spatial and orientational correlations between atoms and molecules detemiiued through x-ray and neutron diffraction experiments. Examples are the atomic pair correlation fiinctions (g, g. . ) in liquid water. An important feature of these correlation functions is that... 

At the time the experiments were perfomied (1984), this discrepancy between theory and experiment was attributed to quantum mechanical resonances drat led to enhanced reaction probability in the FlF(u = 3) chaimel for high impact parameter collisions. Flowever, since 1984, several new potential energy surfaces using a combination of ab initio calculations and empirical corrections were developed in which the bend potential near the barrier was found to be very flat or even non-collinear [49, M], in contrast to the Muckennan V surface. In 1988, Sato [ ] showed that classical trajectory calculations on a surface with a bent transition-state geometry produced angular distributions in which the FIF(u = 3) product was peaked at 0 = 0°, while the FIF(u = 2) product was predominantly scattered into the backward hemisphere (0 > 90°), thereby qualitatively reproducing the most important features in figure A3.7.5. 

Figure A3.8.3 Quantum activation free energy curves calculated for the model A-H-A proton transfer reaction described 45. The frill line is for the classical limit of the proton transfer solute in isolation, while the other curves are for different fully quantized cases. The rigid curves were calculated by keeping the A-A distance fixed. An important feature here is the direct effect of the solvent activation process on both the solvated rigid and flexible solute curves. Another feature is the effect of a fluctuating A-A distance which both lowers the activation free energy and reduces the influence of the solvent. The latter feature enliances the rate by a factor of 20 over the rigid case.

In this chapter many of the basic elements of condensed phase chemical reactions have been outlined. Clearly, the material presented here represents just an overview of the most important features of the problem. There is an extensive literature on all of the issues described herein and, more importantly, there is still much work to be done before a complete understanding of the effects of condensed phase enviromnents on chemical reactions can be achieved. The theorist and experimentalist alike can therefore look forward to many more years of exciting and challenging research in this important area of physical chemistry. 

Figure A3.14.10. Schematic representation of important features of an excitable system (see the text for details)...

Important features of the Verlet algoritlnn are (a) it is exactly time reversible (b) it is loMf order in time, hence pennitting long time steps (c) it is easy to program. 

How does one monitor a chemical reaction tliat occurs on a time scale faster tlian milliseconds The two approaches introduced above, relaxation spectroscopy and flash photolysis, are typically used for fast kinetic studies. Relaxation metliods may be applied to reactions in which finite amounts of botli reactants and products are present at final equilibrium. The time course of relaxation is monitored after application of a rapid perturbation to tire equilibrium mixture. An important feature of relaxation approaches to kinetic studies is that tire changes are always observed as first order kinetics (as long as tire perturbation is relatively small). This linearization of tire observed kinetics means... 

The most important feature of editing software is the option to save the structure in standard file formats which contain information about the structure (e,g., Mol-filc. PDB-filc). Most of these file formats arc ASCII text files (which can be viewed in simple text editors) and cover international standardized and normalized specifications of the molecule, such as atom and bond types or connectivities (CT) (see Section 2,4). Thus, with these files, the structure can be exchanged between different programs. Furthermore, they can seiwe as input files to other chemical software, e.g, to calculate 3D structures or molecular properties. 

Figure 2-129. Isis/Draw V 2.4 provides six different bond types and various important features for chemical tasi

The most important feature of the Fourier analysis is the reduction of the multicoUi-nearity and ike dimension of ike original specira. However, ihe Fourier coefficients hear no. simple relationship to individual features of the spectrum so that it will not he clear what information is being used in calibration."... 

Another important feature of the Tanimoto coefficient when used with bitstring data is that small molecules, which tend to have fewer bits set, will have only a small number of bits in common and so can tend to give inherently low similarity values. This can be important when selecting dissimilar compounds, as a bias towards small molecules can result. 

In unsaturated molecules electronic effects can be transmitted by mesomerism as well as by inductive effects. As with the latter, the mesomeric properties of a group are described by reference to hydrogen. Groups which release electrons to the unsaturated residue of the molecule are said to exert a +Af effect, whereas groups which attract electrons are said to exert a —Af effect. In aromatic structures the important feature of an M-substituent is that it influences the 0- and p-positions selectively. 

An important feature of aldol addition is that carbon-carbon bond formation occurs between the a carbon atom of one aldehyde and the carbonyl group of another This is because carbanion (enolate) generation can involve proton abstraction only from the a carbon atom The overall transformation can be represented schematically as shown m Figure 18 5... 

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