Selective region

Choose the region (single or multiple molecules) of interest for an ab initio calculation from the total molecular system. HyperChem performs the ab initio calculation for the selected region using the perturbation of an electrostatic potential arising from the net charges on the atoms of the un selected part. (For further details of this electrostatic potential perturbation implemented in HyperChem, please see the second part of this book. Theory and Methods). 

Atmospheric emissions of sulphur dioxide are either measured or estimated at their source and are thus calculated on a provincial or state basis for both Canada and the United States (Figure 2). While much research and debate continues, computer-based simulation models can use this emission information to provide reasonable estimates of how sulphur dioxide and sulphate (the final oxidized form of sulphur dioxide) are transported, transformed, and deposited via atmospheric air masses to selected regions. Such "source-receptor" models are of varying complexity but all are evaluated on their ability to reproduce the measured pattern of sulphate deposition over a network of acid rain monitoring stations across United States and Canada. In a joint effort of the U.S. Environmental Protection Agency and the Canadian Atmospheric Environment Service, eleven linear-chemistry atmospheric models of sulphur deposition were evaluated using data from 1980. It was found that on an annual basis, all but three models were able to simulate the observed deposition patterns within the uncertainty limits of the observations (22). 

The viability of producing regenerated water for industrial reuse purposes by means of tertiary treatment of WWTP effluents is illustrated in this section, through examples in N Spain. The demonstration has been performed in Spain. The industrial activities in the selected region showed that the potential industrial demand of regenerated wastewater accounted for 5.2 Hm yr which could be obtained from WWTP facilities located 5 km away of the industrial consumers,... 

For static contacts under different loads, the film thickness shapes in a selected region are shown in Fig. 34 where the deformations of a specific valley under different loads haven been displayed. From Fig. 34(a), we can see that under the load of 1.2 N only a small part of the observed region is in contact state while the rest of the parts are separated by lubricant film, and the contact ratio is only 0.08. When the load rises to 3.6 N, as shown in Fig. 34(b), the contact ratio grows to 0.24. With further increase of loads, we can see from (c) and (d) of Fig. 34 that the contact area grows constantly, and finally the contact ratio arrives at 0.78 under the load of... 

Fig. 34.34. The three first principal components obtained by a local PCA (a) zero component region, (b) up-slope selective region, (c) down-slope selective region (d) three-component region. The spectra included in the local PCA are indicated in the score plot and in the chromatogram.

Local rank analysis of suspected selective regions in a LC-DAD data set (see Fig. 34.34)... 

PC Zero-compound region Suspected selective region (up-slope) Suspected selective region (down-slope)... 

This point analysis is employed to analyse a selected region of chemically homogeneous composition, such as a phase. The electron beam is stopped and positioned carefully on the point selected on the SEM screen, and the composition of the sampling volume is determined by a crystal spectrometer. 

Soft pulse Pulse designed to bring about irradiation of only a selected region of a spectrum. See Hard pulse. 

When diketone 55 was reduced to hydroxyl ketone 56, an interesting change occurred in the H NMR that gave us significant insight into for our proposed conformations of these systems. A selected region of the H NMR for compounds 2 and 56 is shown in Fig. 8.9. 

H. M. was the first human case in which specific amnesia could be linked to selective regions of the brain. Since then, many patients have been identified as having selective lesions to the temporal lobe system, especially within the hippocampus. They have exhibited amnesias similar to H. M. s. For example, amnesic patient, R. B, who had a specific lesion in the CA1 region of hippocampus, showed profound loss of ability to form new memories of people, places, and events [5]. R. B. also lost memories regarding public and personal events that he had experienced two... 

Figure 3.41 Proton NMR spectra of selected region of (RY)-41a in (a) absence and (b) presence of 23ao in CDCI3 at 23°C. (Reprinted with permission from Ref. 209. Copyright 1996 by the American Chemical Society.)...

Warnes, P.N. Christie, A.B. 1995. Regional stream sediment geochemistry database (REGCHEM) for selected regions of New Zealand. The Australasian Institute of Mining and Metallurgy Publication Series, 9/95, 611-616. 

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