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Contour set

Figures 7-11 show potential energy contours for two-dimensional cuts through these three surfaces. The contour sets are labelled by 0. and where the z axis points from molecule 1 to... Figures 7-11 show potential energy contours for two-dimensional cuts through these three surfaces. The contour sets are labelled by 0. and where the z axis points from molecule 1 to...
In Figure llA the upper 1000 m of the Pacific WOCE A " C section shown in Figure 5C is reproduced. Figure IIB shows the estimated natural A " C using the potential alkalinity method. The shape of the two contour sets is quite similar however, the contour values and vertical gradients are very different, illustrating the strong influence of bomb-produced radiocarbon on the upper ocean. The... [Pg.244]

Let us consider the following simple structures, where D is non-integer, called fractals. Let us first consider contour set. We can have a set of lines as shown in Fig. 13.4. A line is divided into three parts. One middle part is removed. Then again, we divide the remaining two parts into three subparts and the middle part in the two cases is also removed. The process is repeated again and again and finally the set of lines called contour set is obtained. [Pg.238]

The Simplest example of fractal is the contour set. We have taken the simplest example to illustrate the meaning of fractal dimension and its estimation. It should be noted that the fractal dimension is a global property of the cluster and it does not provide a deep insight into the structural details of the aggregate. Euclidean dimensions for different geometries are recorded in Table 13.1 while self-similarity dimensions of some deterministic fractals are recorded in Table 13.2. [Pg.240]

In case of three conical intersections, we have as many as eight different sets of eigenfunctions, and so on. Thus we have to refer to an additional chai acterization of a given sub-sub-Hilbert space. This characterization is related to the number Nj of conical intersections and the associated possible number of sign flips due to different contours in the relevant region of configuration space, traced by the electronic manifold. [Pg.667]

R F W Bader s theory of atoms in molecules [Bader 1985] provides an alternative way to partition the electrons between the atoms in a molecule. Bader s theory has been applied to many different problems, but for the purposes of our present discussion we will concentrate on its use in partitioning electron density. The Bader approach is based upon the concept of a gradient vector path, which is a cuiwe around the molecule such that it is always perpendicular to the electron density contours. A set of gradient paths is drawn in Figure 2.14 for formamide. As can be seen, some of the gradient paths terminate at the atomic nuclei. Other gradient paths are attracted to points (called critical points) that are... [Pg.100]

The tube is a construct which we might continue to sketch around an emerging chain as it diffuses out of the original sleeve. Instead, it is convenient to start with the tube initially in place and consider how long it takes for the molecule to escape. The initial entanglements which determine the contours of the tube comprise a set of constraints from which the molecule is relaxing, even if only to diffuse into another similar set. Accordingly, we identify this reptation time as a relaxation time r for the molecule. [Pg.120]

The quantitative analysis of this problem results in a set of contours in terms of the axial ratio a/b and the solvation m /mj for constant values... [Pg.627]

In Fig. 19-5, the conveyor belt is radially profiled at the point of sample extraction with contouring idlers set to match the path of the cutter moving from its driveshaft rotation axis. Cutter edges are posi-... [Pg.1759]

Fig. 5.6 shows the results of a set of computer calculations for the [CBTJics plant in the form of (arbitrary) overall efficiency (tjq) against pressure ratio (r) with the combustion temperature T ox as a parameter. Fig. 5.7 shows tjq plotted against T x with r as a parameter and Fig. 5.8 shows a contour plot of tjq against T ox and r. There is a flat efficiency plateau around T ox 1750°C, less than the maximum value used in these calculations, which approaches the stoichiometric limit. [Pg.79]

The data on which Fig. 8.74 is based are for tests carried out in carbonate well-water. McAdam made the further interesting discovery that if mild steel were tested in condenser water and a similar graph constructed, the set of contours corresponded more closely to the right-hand side of Fig. 8.74, i.e. the behaviour of mild steel in condenser water was similar to that of Monel in carbonate water. The apparent universality of this diagram is an interesting observation, but it has not provoked a basic theory of corrosion fatigue. [Pg.1320]

Fig. 8-10. Contour maps showing spectrograph sensitivities for the iron Ka line for various positions of the sample, (a) At surface of sample holder, (b) 0.16 inch below surface of sample holder, (c) 0.32 inch below surface of sample holder. The sensitivity changes with the x-ray optical system, with the goniometer setting, and with the distance of the sample below the surface of the sample holder. The contour interval is 20 counts per second. (Authors unpublished results.)... Fig. 8-10. Contour maps showing spectrograph sensitivities for the iron Ka line for various positions of the sample, (a) At surface of sample holder, (b) 0.16 inch below surface of sample holder, (c) 0.32 inch below surface of sample holder. The sensitivity changes with the x-ray optical system, with the goniometer setting, and with the distance of the sample below the surface of the sample holder. The contour interval is 20 counts per second. (Authors unpublished results.)...
Fig. 3-2. Molecular electrostatic potential with 6-31G //3-21G basis set in the molecular plane of (ii)-nitrous acid. Black dots refer to four different protonation sites in potential minima. For values of isopotential contours see Nguyen and Hegarty, 1984. Fig. 3-2. Molecular electrostatic potential with 6-31G //3-21G basis set in the molecular plane of (ii)-nitrous acid. Black dots refer to four different protonation sites in potential minima. For values of isopotential contours see Nguyen and Hegarty, 1984.
Entrance and exit pupils are conjugates i.e. images of each other through the optical system. The real physical aperture may be neither of them, hut set hy a physical diaphragm or component contour, located... [Pg.26]

Fig. 16. Contour diagram of the 15bu lone pair orbital in trans-Li2[MeGaGaMe] obtained with a 6-310 basis set [40]... Fig. 16. Contour diagram of the 15bu lone pair orbital in trans-Li2[MeGaGaMe] obtained with a 6-310 basis set [40]...

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See also in sourсe #XX -- [ Pg.238 , Pg.240 ]




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