Reason for use

Ifnited atom force fields (see Ifnited versiisAll Atom Forcehiclds" on page 28 ) arc sometimes used for bioraoleciiles to decrease the number of nonbonded in teraction s and the computation time. Another reason for using a simplified poten tial is to reduce the dimensionality of the potential energy surface. This, in turn, allows for more samples of the surface. 

Allhougli CNOO iN IcNS icculaLc than other NDO iricLhods, there arc two common reasons for using it ... 

Of the five possible shapes, the cube/parallelepiped and the truncated octahedron have been most widely used, with some simulations in the hexagonal prism. The formulae used to translate a particle back into the central simulation box for these three shapes are given in Appendix 6.4. It may be preferable to use one of the more common periodic cells even if there are aesthetic reasons for using an alternative. This is because the expressions for calculating the images may be difficult and inefficient to implement, even though the simulation would use fewer atoms. 

The reason for using an excess of,sny, 1 mol of thionyl chloride is to avoid anhydride formation ... 

The effervescence may become quite brisk this is the reason for using a large container. 

This reduction in permeabiUty due to cake consoHdation or coUapse may be so large that it may nullify or even overtake the advantage of using high pressures in the first place and there is then no reason for using the generally more expensive pressure filtration hardware. While a simple Hquid pump may be cheaper than the vacuum pump needed with vacuum filters, if air displacement dewatering is to foUow filtration in pressure filters, an air compressor has to be used and is expensive. 

Because traces of iron reduce the brilliance of many dyes, wood tanks have long been preferred to steel in the manufacture of dyes. Similarly, vinegar and sour foodstuffs are processed in wood tanks because common metals impart a metallic taste. Ease of fabrication may be the reason for using wood tanks in less accessible areas to which ready-made tanks of other materials caimot be easily moved. 

H. J. White, Jr., ed.. Proceedings of the Perkin Centennial, Sept. 10, 1956, New York, sponsored by the American Association of Textile Chemists and Colorists. Includes chapters on the use, properties, and reasons for using color additives in various foods, dmgs, and cosmetics. 

In order to provide a realistic approach to eutrophication control, the NRA has developed a framework for gathering the scientific evidence and for presenting the relevant information needed for consultation with all parties involved in resolving the problems. This framework includes the production of Action plans for each water on a case by case basis. The principal reason for using this approach is because the NRA is attempting to persuade external... 

In many situations, the most desirable control of vapor-type discharges can be accomplished by condensation. Condensers may also be used ahead of other air pollution control equipment to remove condensable components. The reasons for using condensers include (1) recovery of economically valuable products, (2) removal of components that might be corrosive or damaging to other portions of the system, and (3) reduction of the volume of the effluent gases. 

The reasons for using airflow or contaminant dispersion visualization techniques may be divided into purely technical and pedagogical, both with the purpose to give a base for the design and proper use of a contaminant control technology for workplaces with a good air quality. 

The reason for using feed heating to set the entry feed water temperature at a level T, above the condenser temperature is that Tb must exceed the dewpoint temperature Tjp of the exhaust gases. If is below Tjp then condensation may occur on the outside of the economiser tubes (the temperature of the metal on the outside of the tubes is virtually the same as the internal water temperature because of the high heat transfer on the water side). With Tb > Tjp possible corrosion will be avoided. 

It has later been shown that the resulting equations are identical to CCSD where some of the terms have been omitted. The omitted terms are computationally inexpensive, and there appears to be no reason for using the less complete QCISD over CCSD (or QCISD(T) in place of CCSD(T)), although in practice they normally give very similar results. There are a few other methods which may be considered either as CISD with addition of extra terms to make them approximately size extensive, or as approximate versions of CCSD. Some of the methods falling into this category are Averaged... 

The use of electrodeposited metals to protect corrodible basis metals from their service environments has been well established for many years and accounts for by far the larger part of the activities of the plating industry. There are many reasons for using an electroplated metal finish in preference to an organic finish or to making the articles concerned from inherently corrosion-resistant materials. 

One of the most important reasons for using tosylates in S j2 reactions is stereochemical. The S]s]2 reaction of an alcohol via an alkyl halide proceeds with hvo inversions of configuration—one to make the halide from the alcohol and one to substitute the halide—and yields a product with the same stereochemistry as the starting alcohol. The SN2 reaction of an alcohol via a tosylate, however, proceeds with only one inversion and yields a product of opposite stereochemistry to the starting alcohol. Figure 17.5 shows a series of reactions on the R enantiomer of 2-octanol that illustrates these stereochemical relationships. 

One problem with heterogeneous catalysis is that the solid catalyst is easily poisoned. Foreign materials deposited on the catalytic surface during the reaction reduce or even destroy its effectiveness. A major reason for using unleaded gasoline is that lead metal poisons the Pt-Rh mixture in the catalytic converter. 

Another reason for using higher temperatures is that for an application requiring long-term exposure a candidate plastic is often required to have an RTI value higher than the maximum application temperature. The properties tested can include mechanical strength, impact resistance, and electrical characteristics. A plastic s position in a test s RTI is based on the temperature at which it still retains 50% of its original properties. 

This you cannot do in an adiabatic reactor unless you go to extremely high mixing ratios of fresh feed and recycle gas. In summary, it is a question of selectivity, which is the reason for using the isothermal reactor for Fischer-Tropsch. An adiabatic reactor with a waste heat boiler is cheaper than an isothermal feactor, and hence it is used for methanation. 

The nurse must have factual knowledge of each drug given, the reasons for use of the drug, the drug s general action, the more common adverse reactions associated... 

When applicable, the nurse may be responsible for applying a dressing to the area Depending on the reason for using local anesthesia, the nurse also may be responsible for observing the area for bleeding, oozing, or other problems after the administration of the anesthetic. 

Promoting an Optimai Response to Therapy Nursing management depends on the patient s diagnosis, physical status, and die reason for use of die drag. The nurse may need to assess vital signs every 4 hours and observe for die adverse reactions seen with glucocorticoid administration. 

The expected outcomes of the patient may include an optimal response to drug dierapy and an understanding of die application or die reason for use of a topical drug. 

The expert tried to optimise the design of unbreakable crockery. First he wanted to find reasons for using ceramic as the main material in terms of desired properties. From this first step, he concluded that ceramic had some advantages over metals or composites. The expert made a sharp distinction between intrinsic and extrinsic properties. The choice of type of ceramics was not relevant becanse the desired properties are extrinsically determined. Thns relevant properties cannot be much influenced by the difference in bonding strength due to the different types of ions of the material. Consequently, the properties of ceramic crockery are not mnch inflnenced by the actual choice of ceramic material. Because of this, the expert did not inclnde the ionic stmcture in his reasoning. When he was asked why he did not nse this snb-microscopic level, he explained it was not necessary becanse this [the desired properly] is not imdeigoing influences at atomic level at all . 

A reason for using microkinetics in heterogeneous catalysis is to have comprehensive kinetics and a transparent reaction mechanism that wonld be useful for re or design or catalyst development. Furthermore, in the long run, the exparimental effort to develop a microkinetics scheme can be less than that for a Langmuir-Hinshelwood (LH) or powa--law scheme because of the more fundamental nature of the reaction kinetics parameters. 

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