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Translation effect

In relation with these avoided crossings, the radial coupling matrix elements present sharp peaks at respectively 5.4, 6.6, 7.55 and 9.5 a.u. (Fig. 5). We may notice that these radial couplings are almost insensitive to the choice of the origin of electronic coordinates. The most sensitive one is the g23 function at short internuclear distance range, but we may expect weak translational effects for such electron capture processes dominated by collisions at large distance of closest approach. [Pg.340]

We admit some cowardice. Most of our earlier estimates of entropy invoked symmetry numbers and/or were studies of bond cleavage reactions dominated by translational effects. We hesitate to compare isomers with the same carbon or heavy atom skeleton when effects of a few kJ mol-1 are crucial. [Pg.106]

The functions rj0(T) and experimental data of selected substances which closely follow the theorem of corresponding states.20 Six substances were retained argon, krypton, xenon, methane, carbon monoxide, and nitrogen (neon was discarded on account of quantum translational effects). [Pg.127]

Castro, T L. G. Ruiz-Suarez, J. C. Ruiz-Suarez, M. J. Molina, and M. Montero, Sensitivity Analysis of a UV Radiation Transfer Model and Experimental Photolysis Rates of NO, in the Atmosphere of Mexico City, Atmos. Environ., 31, 609-620 (1997). Crosley, D. R., Rotational and Translational Effects in Collisions of Electronically Excited Diatomic Hydrides, J. Phys. Chem., 93, 6273-6282 (1989). [Pg.84]

Crosley, D. R., Rotational and Translational Effects in Collisions of Electronically Excited Diatomic Hydrides, . /. Phys. Chem., 93, 6273-6282 (1989). [Pg.640]

J. D. Poll. Theory of translational effects in induced infrared spectra. Dissertation, University of Toronto, 1960. [Pg.422]

Bagchi and co-workers [47-50] have explored the role of translational diffusion in the dynamics of solvation by employing a Smoluchowski-Vlasov equation (see also Calef and Wolyness [37] and Nichols and Calef [42]). A significant contribution to polarization relaxation is observed in certain cases. It is found that the Onsager inverted snowball model is correct only when the rotational diffusion mechanism of solvation dominates the polarization relaxation. The Onsager model significantly breaks down when there is an important translational contribution to the polarization relaxation [47-50]. In fact, translational effects can rapidly accelerate solvation near the probe. In certain cases, the predicted behavior can actually approach the uniform continuum result that rs = t,. [Pg.36]

Ryabova, L. A., Desplancq, D., Spirin, A. S., and Plukthun, A. (1997) Functional antibody production using cell-free translation effects of protein disulfide isomer-ase and chaperones. Nat. Biotechnol. 15, 79-84. [Pg.165]

In order to relate these molar quantities to properties of the single molecule we can apply arguments of statistical classical mechanics. At moderate intensity, the electric field gives rise to a dipole density by electronic and atomic translation (or deformation) effects and by rotation (or orientation) effects. We recall that the rotation effects are counteracted by the thermal movement of the molecules and thus they are strongly dependent on the temperature T whereas the translation effects are only slight dependent on T because they are intramolecular phenomena. The general expression to be used to define the Fourier amplitudes (2.165)-(2.167) is ... [Pg.240]

Thyroid hormone Synthesis of pumps a) Increased gene transcription (through direct interaction of nuclear T3-receptor complex with c/s-regulatory upstream gene element, or secondary to T3 induction of other proteins, or to altered ion fluxes) b) Posttranscriptional effects on mRNA levels c) Translational effects... [Pg.55]

To investigate the dependence of the polarization on molecular quantities, it is convenient to assume the polarization P to be divided into two parts the induced polarization Pa, caused by translation effects, and the dipole polarization P, caused by the orientation of the permanent dipoles. Note that in ionic polarization the transport of charge carriers and their trapping can also create induced polarization. [Pg.5]

Table 3.1 displays the entropy changes of melting and vaporization for some pure substances. The entropy of vaporization is proportional to the ratio of the degree of randomness in the vapor and liquid phases. For a pure component, A.S. consists of translational, rotational, and conformational motion of molecules. The translational effect is the largest contribution to the entropy of vaporization. [Pg.100]

Often cyanide is produced by glycine oxidation, allowing to translate effects of selective metal sequestration by comparing mono- and bidentate c and x values for the given metal. [Pg.78]

Polarization can be factorized into two main contributions induced polarization Pa, due to translation effects, and dipole polarization due to orientation of permanent dipoles. Moreover, induced polarization can be viewed as being due to the contribution of electronic polarization P and atomic polarization P. ... [Pg.138]

The same authors presented an MD study of the molecular dipole moment and a net charge for [C4mim]+ combined with BFJ, [DCA] and the trifluoromethyl-acetate [89], In contrast to a solution of simple ions in a (non)polar solvent, rotational and translational effects were found to play a role. The theoretical framework necessary to compute the conductivity spectrum and its low frequency limit of ILs was newly developed. Merging these computed conductivity spectra with previous simulation results on the dielectric spectra resulted in the spectrum of the generalized dielectric constant [89], It was calculated for the three ILs over six orders of magnitude in frequency ranging from 10 MHz to 50 THz [89],... [Pg.235]

The pretax profit margin declined about from 9.9% in 1997 to 5.9% in 1998 (see Table 7.15), reflecting a decrease in revenue from sales and services of about 12 billion, in part because of lower average worldwide prices for crude oil, natural gas, and petroleum product as well as currency translation effects (Table 7.16). The returns on assets and equity were about half the values in 1997. Compared with the median values for 20 petroleum refiners in 1998, Mobil exceeded the returns but did considerably less well than Exxon (see Tables 7.23 and 7.24). [Pg.264]

Great potential appears to exist in the use of retinoids in combination with cytokines, vitamin D3, antioestrogens, and possibly other hormones such as the thyroid hormone. Further studies are necessary to determine whether these preliminary in vitro results will translate effectively in vivo. [Pg.43]

Fletcher, E.R., Blast Induced translational effects. NewYork Academy of Sciences, 1968. [Pg.1040]

Double excitations involving two core electrons introduce core correlation effects, almost independent of the valence electron distribution they have a pure translational effect on the energies. [Pg.358]


See other pages where Translation effect is mentioned: [Pg.336]    [Pg.15]    [Pg.179]    [Pg.111]    [Pg.78]    [Pg.352]    [Pg.398]    [Pg.136]    [Pg.139]    [Pg.110]    [Pg.264]    [Pg.620]    [Pg.1688]    [Pg.811]    [Pg.210]    [Pg.736]    [Pg.99]    [Pg.259]    [Pg.811]    [Pg.15]    [Pg.119]    [Pg.408]    [Pg.115]    [Pg.76]    [Pg.157]    [Pg.439]    [Pg.139]   
See also in sourсe #XX -- [ Pg.91 , Pg.96 , Pg.97 , Pg.98 , Pg.99 ]




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