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Other Arguments

In the Miller-Abrahams expression, the hopping rates are a product of a prefactor v0, an electron overlap quantity Wy = Wji9 and the term exp[-(ey - zj)/kT when y e, and unity for the case where ey e7. For a pair of sites separated Ry in an isotropic medium, Wy = exp(-2yft7y). where y is an inverse wavefunction decay constant. To incorporate positional or off-diagonal disorder, Pautmeier et al. (1988, 1990) assumed that sites / and j make independent contributions as [Pg.319]

Conwell is that the activation energy for combined diagonal and off-diagonal disorder is larger than values obtained where only diagonal or off-diagonal disorder occur. The results are illustrated in Fig. 26. For all curves, w = 0. The activation energies were determined by an Arrhenius fit to the data points at T = 200, 250, and 300 K. [Pg.322]

Majias and Casado (1995) analyzed the dependence of the carrier drift velocity on the degree of energetic disorder by a simulation technique (Casado and Majias, 1994). The simulations are based on jump rates derived from the Miller-Abrahams formalism. At low fields, the velocity always decreases with increasing disorder. At high fields, however, the presence of small amounts of disorder induces nonmonotonic behavior, showing a maximum of the velocity at nonzero disorder. The results were discussed by an argument based on the distribution of hopping rates in the three spatial directions. [Pg.322]

Dunlap et al. assumed that transport can be described by a biased random walk through nearest-neighbor molecules having random but correlated Gaussian energies of zero mean and width a AT. The analysis of Dunlap et al. leads to [Pg.323]


The curves for HC1, HBr and HI do not cross, in the main because the ionic radii of Cl-, Br and I are much larger than that of F-. Accordingly the normal states of these molecules are essentially of the electron-pair bond type, and the formulas H Cl , H Br , and H I maybe used as giving a reasonably accurate picture of the state of the molecules. This conclusion had been reached before on the basis of other arguments, especially the tendency of fluorine alone of the halogens to form hydrogen bonds. [Pg.310]

The basis functions are most commonly chosen such that the spin-function is either a pure spin-up function a(cr) or a pure spin-down function )S(cr). They are defined such that a( ) = / ( j) = 1 and zero for any other argument cr. Since the BO and, consequently, the Fock operator do not contain any spin-dependent terms, the HF equations divide into spin-up and spin-down equations ... [Pg.142]

There are other arguments which support the assumption that biogenesis occurred at thermal sources ... [Pg.186]

Thus, in response to Pfizer s asserted superior and unexpected results, the court, at various places, reasoned a particular result (e.g., solubility, chemical stability, ease of manufacturability) was not superior, not unexpected, or both not superior and not unexpected. This analysis, combined with the court s dismissal of Pfizer s other arguments for nonobviousness, resulted in invalidation of Claims 1-3 of the 303 patent. [Pg.460]

In these examples, the condensed Fukui functions were computed using Hirsh-feld population analysis [26], which is unique among the commonly employed population analysis methods, because the same results are obtained from the response of molecular fragment and the fragment of molecular response approaches [24]. There are other arguments in favor of the Hirshfeld scheme too [27,28], many of them based on the tendency for the atom-condensed Hirshfeld Fukui functions to be nonnegative [25,29,30]. Nonetheless, condensed Fukui functions maybe computed using any population analysis method common methods... [Pg.261]

Other arguments in favour of the reality of pseudocationic polymerisation, based on activation energies, co-polymerisation ratios, electric field effects, etc., have been given [6] and will be elaborated elsewhere. [Pg.670]

According to low-temperature kinetic studies, the non-detection of the intermediate (P B H) implies k s > 50 kij in interpretation i) [167,170]. This would require an extremely large value for k a which, together with other arguments, leads Jortner and co-workers to rule out the two-step mechanism [174]. However, this argument could be revised, since recent experiments support a ratio k23/ki2 of about 4 at room temperature [176]. [Pg.36]

The Ci are the coefficients in the wave function corresponding to the tableaux. The values assume that the actual tableau function is normalized to 1 as well as the overall wave function. The 00 indicates the values in this case are for large -values. Elsewhere, other arguments appear. [Pg.151]

Then there is the fourth point, the practical issue of timing relevant to other courses and other participants, such as engineers and the correlation of lectures with laboratory. This is a local issue, of course, but it might have a serious impact on the development of courses locally. It seems to me, though, that a chemistry department should establish its own priorities and approach initially, and bend only as others arguments prove compelling. [Pg.46]

This characterization of social norms is controversial, more so perhaps than most other arguments in this book. I shall discuss objections later, but first we need some illustrations of what I have in mind when I talk about social norms. I shall focus on the issue of whether social norms serve an ulterior purpose, that is, whether they are in some sense useful for the individual or for the society. When they are, we should not conclude, without further argument, that they exist because they serve that purpose. [Pg.121]

We present here the other argument against the consistency between Mont Blanc and KAMIOKANDE. The KAMIOKANDE trigger system possesses a special low level discriminator output, the rate of which is counted with an online scaler. The low level discriminator has a threshold of approximately 6.4 MeV at 50% efficiency. The scaler count is read out at every event occurrence. The result is shown in Fig.6. The count rates between 2 52 UT and 2 54 UT are compared with the average rate of 9.96 Hz. They are all consistent with background. Since the threshold level is similar with Mont Blanc, one can easily calculate the event rate inferred from the Mont Blanc result ... [Pg.344]

The expressions in brackets are the expansivities above and below Tg. The constant K3 is a function of bond type in chains and is really constant for every class of polymers. The physical interpretation of this equation may be consistent with the iso-free-volume concept. However, we believe that the introduction of this equality is in practise a denial of the concept. There are also other arguments against this concept. Kastner56 found, for example, that dielectric losses diminish during the isothermal volume contraction, which indicates a dependence of relaxation times on free-volume. However, if we assume that relaxation time depends exclusively on free-volume, the calculated reduction factor differs from the experimental one. [Pg.80]

The J50 values for siroheme in E. coli sulfite reductase and spinach nitrite reductase are -345 and -50 mV respectively, compatible with direct roles for siroheme in the reductions. Treatment of sulfite reductase with cyanide or carbon monoxide prevents binding of sulfite. Several other arguments indicate that the substrate may bind to the siroheme at or close to the iron centre. [Pg.626]


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