Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Local maxima

The expansion is done around the principal axes so only tliree tenns occur in the simnnation. The nature of the critical pomt is detennined by the signs of the a. If > 0 for all n, then the critical point corresponds to a local minimum. If < 0 for all n, then the critical point corresponds to a local maximum. Otherwise, the critical points correspond to saddle points. [Pg.120]

The types of critical points can be labelled by the number of less than zero. Specifically, the critical points are labelled by M. where is the number of which are negative i.e. a local minimum critical point would be labelled by Mq, a local maximum by and the saddle points by (M, M2). Each critical point has a characteristic line shape. For example, the critical point has a joint density of state which behaves as = constant x — ttiiifor co > coq and zero otherwise, where coq corresponds to thcAfQ critical point energy. At... [Pg.120]

Fig. 5. The left hand side figure shows a contour plot of the potential energy landscape due to V4 with equipotential lines of the energies E = 1.5, 2, 3 (solid lines) and E = 7,8,12 (dashed lines). There are minima at the four points ( 1, 1) (named A to D), a local maximum at (0, 0), and saddle-points in between the minima. The right hand figure illustrates a solution of the corresponding Hamiltonian system with total energy E = 4.5 (positions qi and qs versus time t). Fig. 5. The left hand side figure shows a contour plot of the potential energy landscape due to V4 with equipotential lines of the energies E = 1.5, 2, 3 (solid lines) and E = 7,8,12 (dashed lines). There are minima at the four points ( 1, 1) (named A to D), a local maximum at (0, 0), and saddle-points in between the minima. The right hand figure illustrates a solution of the corresponding Hamiltonian system with total energy E = 4.5 (positions qi and qs versus time t).
HyperChem performs ti vibrational analysisat the molecular geometry shown m the IlyperChem workspace, without any automatic pre-optini i/ation. IlyperChem may thus give unreasonable results when yon perform vibrational analysiscalcnlations woth an nnoptimized molecular system, particularly for one far from optimized. Because the molecular system is not at a stationary point, neither at a local minimum nor at a local maximum, the vibra-... [Pg.332]

FIGURE 10.71 The ratio of the horizontal component of the fluid velocity to its local maximum u/ u, as a function of t), at x = 0.75 m for the experimental results, the numerical results obtained using the commercial package for the offset and equivalent wall jet models, and the original and modified Verhoff empirical formulae. [Pg.948]

The temperature for methane and butane calculated with the isothermal model is a factor 1.4 times greater than the average temperature measured by Lihou and Maund (1982) in their small-scale tests, although higher local maximum temperatures were measured. In this model, combustion is stoichiometric, thus leading to very high fireball temperatures which, in turn, lead to high radiation emissions. Effective surface emissions measured experimentally were one-half the value calculated from this model, because combustion is not stoichiometric and emissivity is less than unity. [Pg.174]

The theory of atoms in molecules defines chemical properties such as bonds between atoms and atomic charges on the basis of the topology of the electron density p, characterized in terms of p itself, its gradient Vp, and the Laplacian of the electron density V p. The theory defines an atom as the region of space enclosed by a zero-/lMx surface the surface such that Vp n=0, indicating that there is no component of the gradient of the electron density perpendicular to the surface (n is a normal vector). The nucleus within the atom is a local maximum of the electron density. [Pg.198]

In the tetragonal transformation, the bcc structure is not the local maximum of the D parameter. Although the bcc stracture has a higher density if it is compressed along the tetragonal axis, many elements take this structure. On the other hand, the bet structure is the local maximum of the D parameter in the tetragonal distortion but no metal takes this structure. These results indicate that density is not an important factor for the choice of crystal stracture. [Pg.37]

Surface Composition Measurements. The surface composition and metal dispersion for a series of silica (Cab-O-Sll) supported Ru-Rh bimetallic clusters are summarized In Table I. Surface enrichment In Rh, the element with the lower heat of sublimation, was not observed over the entire bimetallic composition range. In fact, to within the experimental limit of error of the measurements, surface compositions and catalyst compositions were nearly equal. A small local maximum In the dispersion was observed for the catalyst having a surface composition of 50% Rh. [Pg.296]

A local maximum in the density with 3 negative curvatures, called a peak. [Pg.127]

Cboo coefficient in relation for local maximum bubble size dba,... [Pg.220]


See other pages where Local maxima is mentioned: [Pg.307]    [Pg.307]    [Pg.69]    [Pg.206]    [Pg.83]    [Pg.261]    [Pg.947]    [Pg.947]    [Pg.234]    [Pg.317]    [Pg.226]    [Pg.194]    [Pg.289]    [Pg.304]    [Pg.14]    [Pg.228]    [Pg.389]    [Pg.45]    [Pg.154]    [Pg.47]    [Pg.35]    [Pg.35]    [Pg.104]    [Pg.412]    [Pg.589]    [Pg.171]    [Pg.392]    [Pg.119]    [Pg.152]    [Pg.912]    [Pg.473]    [Pg.207]    [Pg.171]    [Pg.297]    [Pg.613]    [Pg.626]    [Pg.204]    [Pg.220]    [Pg.171]   
See also in sourсe #XX -- [ Pg.30 ]

See also in sourсe #XX -- [ Pg.103 ]

See also in sourсe #XX -- [ Pg.185 ]

See also in sourсe #XX -- [ Pg.111 , Pg.225 ]

See also in sourсe #XX -- [ Pg.18 , Pg.27 ]

See also in sourсe #XX -- [ Pg.111 , Pg.225 ]




SEARCH



Electronic charge density local maxima

Gold atom Local maximum of relativistic effects

Local maxima in

© 2024 chempedia.info