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The contraction technique

This technique of retaining some of the Gaussian primitives in fixed linear combinations is called contraction. Of course, the calculations using all the primitives still have to be performed, but the advantage gained by using so-called contracted basis functions is that storage is saved. The price to be paid for the contraction technique is loss of variational flexibility only the linear combination coefficients of the basis functions are optimised, not the coefficients of each primitive. [Pg.409]

Since we have taken the decision to use the contraction technique to define our basis functions in terms of primitive GTFs let us incorporate this decision into the design of the implementation. [Pg.513]

That is, the contraction technique is, strictly, applied to the exponential factors only and any implementation of the formulae can take advantage of common geometrical terms in the Cartesian factors. [Pg.513]

In 1972, the Agency for International Development (AID) cooperated with the Sulphur Institute to prepare a program to evaluate the feasibihty of using the sulfur surface-bond technique in developing countries. Afterwards AID awarded a contract to Southwest Research Institute to constmct houses in South America and Africa using this technique. Under the contract, about 60 houses have been completed (62). [Pg.126]

You should review the contract and the detail specifications to identify whether your existing controls will regulate quality within the limits required. You may need to change the limits, the standards, the techniques, the methods, the environment, and the instruments used to measure quality characteristics. One technique may be to introduce Just-in-time as a means of overcoming storage problems and eliminating receipt inspection. Another technique may be Statistical Process Control as a means of increasing the process yield. The introduction of these techniques needs to be planned and carefully implemented. [Pg.192]

Dilatometer Basically it is a pyrometer equipped with instruments to study density as a function of temperature and/or time. It can measure the thermal expansion or contraction of solids or liquids. They also study polymerization reactions it can measure the contraction in volume of unsaturated compounds. It basically is a technique in which a dimension of a material under negligible load is measured as a function of temperature while it is subjected to a controlled temperature program. [Pg.635]

For pharmaceutical formulations, the simplex method was used by Shek et al. [10] to search for an optimum capsule formula. This report also describes the necessary techniques of reflection, expansion, and contraction for the appropriate geometric figures. The same laboratories applied this method to study a solubility problem involving butoconazole nitrate in a multicomponent system [11],... [Pg.611]

Today, the first question can sometimes be studied directly using techniques that are described in later chapters, but this was not an option for the early pharmacologists. Also, the only responses that could then be measured (e.g., the contraction of an intact piece of smooth muscle or a change in the rate of the heart beat) were indirect, in the sense that many cellular events lay between the initial step (activation of the receptors) and the observed response. For these reasons, the early workers had no choice but to devise ingenious indirect approaches, several of which are still important. These are based on modeling (i.e., making particular assumptions about) the two... [Pg.6]

Using the dilatometer technique, a small sample of powder (about 1 -2 grams) is heated at constant rate in the apparatus depicted schematically in Fig. 43. Dilatation of the sample is measured by a linear voltage transducer (LVDT) contraction of the sample indicates particle-particle surface flattening and defines the minimum softening point ox sintering temperature, Ts. In... [Pg.418]

A key technique for building a kit of components is that you must define the interfaces between the components very clearly. This brings us back to integrity. If we are to plug together parts from different designers who don t know one another, we must be very clear about what the contract across the connection is what each party should provide to and expect of the other. [Pg.17]

The second approach is an adaptation of the voltammetry technique to the working environment of electrolytes in an operational electrochemical device. Therefore, neat electrolyte solutions are used and the working electrodes are made of active electrode materials that would be used in an actual electrochemical device. The stability limits thus determined should more reliably describe the actual electrochemical behavior of the investigated electrolytes in real life operations, because the possible extension or contraction of the stability window, due to either various passivation processes of the electrode surface by electrolyte components or electrochemical decomposition of these components catalyzed by the electrode surfaces, would have been... [Pg.84]

It is evident that if both techniques could be applied to one system, there is a much greater probability of assessing the over-all changes that take place on adsorption. Furthermore, the information obtained from each technique will supplement the other. An example of this is a study of the effects due to replacement of the surface OH groups. In earlier work with porous glass, the anomalous curves, and the contractions at low coverage. [Pg.290]

The photochemical Wolff rearrangement represents a generally useful ring contraction technique. [Pg.30]

Among the several 2-RDM-oriented methods that have been developed for the study of chemical systems, one of the most recent and promising techniques is based on the iterative solution of the second-order contracted Schrodinger equation (2-CSE) [1, 6, 15, 18, 36, 45-60, 62-65, 68, 70, 79-85, 103-111]. The 2-CSE was initially derived in 1976 in first quantization in the works of Cho [103], Cohen and Erishberg [104, 105], and Nakatsuji [106] and later on deduced in second quantization by Valdemoro [45] through the contraction of... [Pg.244]

Microhardness (MH), has been shown to be a convenient additional technique to detect accurately the ferro to paraelectric phase changes in these copolymers. The increase of MH as a function of VF2 polar sequences observed at room temperature is correlated with the contraction of the p-all-trans unit cell On the other hand, the fast exponential decrease of MH with increasing temperature, observed above Tc, is similar to that obtained for glassy polymers above Tg and suggests the existence of a liquid crystalline state in the high temperature paraelectric phase. This phase is characterized by a disordered sequence of conformational isomers (tg-, tg+, tt) as discussed for Condis crystals [109]. [Pg.45]


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The Contract

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