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Charge commensurate

The effective potential in this formulation V ff, is not the same as Vgff iii Eq. [45]. Whereas an effective polarization was treated in Eq. [45] by assigning fitted charges commensurate with an enhanced dipole moment, the charges in Eq. [46] should correspond to the gas phase moments. Although the self-consistent dipole polarization does select all N-body interactions arising from dipole polarization, the corrections to higher order electrostatic moments— especially the quadrupole moments— are not properly accounted for. Three-body corrections to dispersion and repulsive components of the potential still remain in the effective two-body V ff term. [Pg.206]

Recognize that people have certain capabilities the law says that people have equal rights (so it reads that we were all equal since 1776) but some interpret it to mean equal capabilities. So it has been said via Sun Tzu, The Art of War, about 500 BC Now the method of employing people is to use the avaricious and the stupid, the wise and the brave, and to give responsibilities to each in situations that suit the person. Do not charge people to do what they cannot do. Select them and give them responsibilities commensurate with their abilities. ... [Pg.36]

From this viewpoint, it is possible to rationalise the results of the different types of charge density MaxEnt calculations discussed so far. In each case, the calculation provides an answer whose quality is commensurate with the degree of adequacy or inadequacy of the null hypothesis made these null hypotheses can be ranked in increasing order of information content ... [Pg.34]

Hydration of the metal ions produces an enthalpy change that is commensurate with the size and charge of the ion with the addition of the number of Dq units shown in the weak field column in Table 17.4. For d°, d5, and d10 there is no additional stabilization of the aqua complex since these cases have no ligand field stabilization. Figure 17.10 shows a graph of the heats of hydration for the first-row + 2 metal ions. [Pg.628]

The commensurable kinetics of an electrode reaction bring about a hindrance or resistance to the transfer of charge at the interface and the current—potential relationship for the interface is more complex than the one predicted by Ohm s law for conducting phases. [Pg.6]

Since electrode reactions are heterogeneous chemical processes with transference of charge across the interface, for a net reaction to take place at commensurable rate reactants and products must be transported to and from the electrode surface to sustain a net flux and thus an electrical current across the electrode—electrolyte interface. [Pg.18]

Abstract Electronic correlation effects in La2.ISrINi04 lead to spontaneous phase separation into microscopic spin/charge stripes with commensurate or incommensurate order. Raman scattering experiments on such single crystalline materials show a rich phenomenology of phonon and magnon anomalies due to the new, self-organized periodicities. These effects are observable as function of temperature. [Pg.205]

They showed that the reversible charge capacity of heat-treated cokes as a function of their degree of graphitization is in remarkable agreement with the expression (Equation 7.6) if xaa = 0.75, xaP = 0.20, and Xpp = 1. The lower value of xap was qualitatively confirmed by STM observations on pyrocarbons heat-treated at 2000°C.172 In the ap state, interstitial clusters of carbon atoms which commensurate with the graphite lattice hindered the intercalation of lithium and, thus, decreased the stoichiometric coefficient x with respect to a random distribution of interstitials. [Pg.285]

We have also to say a few words about a smeared out analogue utilized in our consideration to represent the surface charge distribution. There was an indication in the literature that the image interaction within this adsorption layer may influence the interaction on a macroscopic scale, i.e., which is being commensurate with the range of colloidal forces [29]. However, later results... [Pg.467]

The Peierls169 metal-to-semiconductor phase transition in TTFP TCNQ p was detected in an oscillation camera these streaks became bona fide X-ray spots only below the phase transition temperature of 55 K this transition is incommensurate with the room-temperature crystal structure, due to its partial ionicity p 0.59, and the "freezing" of the concomitant itinerant charge density waves (this effect was missed by four-circle diffractometer experiments, which had been set to interrogate only the intense Bragg peaks of either the commensurate room-temperature metallic structure, or the commensurate low-temperature semiconducting structure). [Pg.756]

It is quite obvious from the above that disorder of any kind will reduce the CDW or BOW responses and the PLD fluctuations. Consequently, T% will decrease and will eventually disappear for large enough disorder [69]. Defects will also pin the Frolich mode and produce phase and amplitude modulations in the order parameter. Impurities may ionize (dopants) and produce charged solitons and discommensurations [70]. The commensurability pinning will decrease, affecting the soliton energy and width, as does the umklapp pinning. [Pg.55]


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See also in sourсe #XX -- [ Pg.52 , Pg.59 , Pg.132 ]




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