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Exponential behaviour

The calculated ioi as a function of basis set and electron correlation (valence electrons only) at the experimental geometry is given in Table 11.8. As the cc-pVXZ basis sets are fairly systematic in how they are extended from one level to the next, there is some justification for extrapolating the results to the infinite basis set limit (Section 5.4.5). The HF energy is expected to have an exponential behaviour, and a functional form of the type A + 5exp(—Cn) with n = 2-6 yields an infinite basis set limit of —76.0676 a.u., in perfect agreement with the estimated HF limit of -76.0676 0.0002 a.u. ... [Pg.268]

The a—time curves for the vacuum decomposition at 593—693 K of lanthanum oxalate [1098] are sigmoid. Following a short induction period (E = 164 kJ mole-1), the inflexion point occurred at a 0.15 and the Prout—Tompkins equation [eqn. (9)] was applied (E = 133 kJ mole-1). Young [29] has suggested, however, that a more appropriate analysis is that exponential behaviour [eqn. (8)] is followed by obedience to the contracting volume equation [eqn. (7), n = 3]. Similar kinetic characteristics were found [1098] for several other lanthanide oxalates and the sequence of relative stabilities established was Gd > Sm > Nd > La > Pr > Ce. The behaviour of europium(III) oxalate [1100] is exceptional in that Eu3+ is readily reduced... [Pg.224]

Of course, knowledge of the entire spectrum does provide more information. If the shape of the wings of G (co) is established correctly, then not only the value of tj but also angular momentum correlation function Kj(t) may be determined. Thus, in order to obtain full information from the optical spectra of liquids, it is necessary to use their periphery as well as the central Lorentzian part of the spectrum. In terms of correlation functions this means that the initial non-exponential relaxation, which characterizes the system s behaviour during free rotation, is of no less importance than its long-time exponential behaviour. Therefore, we pay special attention to how dynamic effects may be taken into account in the theory of orientational relaxation. [Pg.63]

This treatment describes only the long-time exponential behaviour such... [Pg.96]

To define a feature extraction procedure it is necessary to consider that the output signal of a chemical sensor follows the variation of the concentration of gases at which it is exposed with a certain dynamics. The nontrivial handling of gas samples complicates the investigation of the dynamics of the sensor response. Generally, sensor response models based on the assumption of a very rapid concentration transition from two steady states results in exponential behaviour. [Pg.148]

It is worthwhile noting that if a smaller amount of noise is added to the y-data, the subtraction of the wrong constant offset manifests in a visible curvature of their logarithmic plot. This in turn could be misinterpreted as non-exponential behaviour. [Pg.129]

This theory was able to account for both the molecular-weight scaling of the dynamic quantities Dg, r, and x as well as for the shape of the relaxation spectrum (see Fig. 5) apart from one important feature - the constant v in the leading exponential behaviour that multiplies the dimensionless arm molecular weight needed to be adjusted. This can be understood as follows. The prediction of the tube model for the plateau modulus from the stress Eq. (7) is... [Pg.215]

If X becomes zero, the decay of the perturbation expressed in eqn (8.9) would appear to cease, with Aa(t) = Aa0 for all times. In fact, even before X becomes exactly zero, the system adjusts from its simple exponential behaviour. This change arises because higher-order terms in eqn (8.8) can become important if 1 /treUx is a small quantity. [Pg.217]

The half-life of a first order reaction remains constant throughout reaction and is independent of concentration. This applies to any fractional lifetime, though the half-life is the one most commonly used. The relaxation time is the other common fractional lifetime. The relaxation time is relevant only to first order reactions, and is afractional lifetime which bears a very simple relation to the rate constant as a direct consequence of the exponential behaviour of first order reactions. [Pg.64]

The potential distribution at the surface of the semiconductor is such that the bulk of the potential change is accommodated within the depletion layer. It follows, as discussed in Sect. 4, that ns will be a strong function of the applied potential. However, the corollary of this is that the matrix element V and the thermal distribution parameters ox(Ec) and Qrei(Ec) will be much weaker functions of potential. Although, therefore, we would expect to find an exponential or Tafel-like variation of current with potential for a faradaic reaction on a semiconductor, the underlying situation is quite different from that of a metal. In the latter case, the exponential behaviour arises from the nature of the thermal distribution function Q and the concentration of carriers at the surface of the metal varies little with potential. To see this more clearly, we may expand eqn. (179) assuming that the reverse process of electron injection into the CB can be neglected eqn. (179) then reduces to... [Pg.129]

Two principal explanations have been put forward to account for this multi-exponential behaviour, which have turned out to be very difficult to distinguish experimentally (and anyway are not mutually exclusive). However this topic has attracted considerable interest because regardless of which explanation is correct, both originate from fundamental properties of protein systems which are difficult to access through experiment. A number of the papers cited above have discussions on the possible origins of multi-exponential P decay, as do recent reviews and articles (Parson, 1996 Bixon et al., 1995 Woodbury and Allen, 1995 Gehlen et al., 1994 Gudowska-Nowak et al., 1994 Kolaczkowski et al., 1994 Small et al.,... [Pg.651]

At higher temperatures transitions between these wells are superimposed to harmonic fluctuations [3,21], Non-equilibrium motions are due to the relaxation toward equilibrium. Since photodissociation creates a non-equilibrium state of the protein both type of motions can take part in the recombination process. In fact, Ansari et al. concluded [94] that the low temperature non-exponential behaviour observed for CO rebinding arises from an inhomogeneous protein population rather than a homogeneous one having multiple binding sites [93]. [Pg.80]

The Bloch theory of NMR assumes that the recovery of the -f z-magnetisa-tion, Mj, follows exponential behaviour, described by ... [Pg.26]

If AE represents the energy gap between the emitting level of UO + and levels of the Rare Earth ions to which energy transfer takes place, an exponential behaviour of the transfer probability with energy gap is observed and the phonon assisted energy transfer is of the form49 ... [Pg.20]


See other pages where Exponential behaviour is mentioned: [Pg.2497]    [Pg.200]    [Pg.188]    [Pg.189]    [Pg.33]    [Pg.162]    [Pg.878]    [Pg.392]    [Pg.128]    [Pg.412]    [Pg.456]    [Pg.706]    [Pg.97]    [Pg.172]    [Pg.12]    [Pg.142]    [Pg.61]    [Pg.96]    [Pg.184]    [Pg.568]    [Pg.580]    [Pg.188]    [Pg.250]    [Pg.361]    [Pg.480]    [Pg.195]    [Pg.76]    [Pg.384]    [Pg.388]    [Pg.381]    [Pg.226]    [Pg.21]    [Pg.484]    [Pg.242]    [Pg.255]    [Pg.259]   
See also in sourсe #XX -- [ Pg.19 , Pg.20 , Pg.21 , Pg.22 , Pg.23 , Pg.24 , Pg.25 , Pg.26 , Pg.27 ]




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