نتایج جستجو برای: electron localization function
تعداد نتایج: 1602634 فیلتر نتایج به سال:
The current view of multidrug resisitance is that overexpression of membrane P-glycoprotein (P-gp) is a major causative factor. However, the controversial presence of subcellular P-gp may also participate in the drug resistance. In this study, we sought to investigate the localization and functional characterization of P-gp in mitochondria isolate...
Much evidence has been collected to date which shows that repulsive electron-electron interaction can lead to the formation of particle pairs in a one-dimensional random energy landscape. The localization length 2 of these pair states is nite, but larger than the localization length 1 of the individual particles. After a short review of previous work, we present numerical evidence for this eeec...
Although it would be tempting to associate the Lewis structures to the maxima of the squared wave function |Psi|2, we prefer in this paper the use of domains of the three-dimensional space, which maximize the probability of containing opposite-spin electron pairs. We find for simple systems (CH4, H2O, Ne, N2, C2H2) domains comparable to those obtained with the electron localization function (EL...
A new thermodynamically self-consistent (TSC) method, based on the quasi-harmonic approximation (QHA), is used to obtain the Debye temperatures of LiFePO4 (LFP) and FePO4 (FP) from available experimental specific heat capacities for a wide temperature range. The calculated Debye temperatures show an interesting critical and peculiar behavior so that a steep increase in the Debye temperatures is...
Much evidence has been collected to date which shows that repulsive electron-electron interaction can lead to the formation of particle pairs in a one-dimensional random energy landscape. The localization length λ2 of these pair states is finite, but larger than the localization length λ1 of the individual particles. After a short review of previous work, we present numerical evidence for this ...
By combining carrier-envelope phase (CEP) stable light fields and the traditional method of optical pump-probe spectroscopy we study electron localization in dissociating H2(+) molecular ions. Localization and localizability of electrons is observed to strongly depend on the time delay between the two CEP-stable laser pulses with a characteristic periodicity corresponding to the oscillating mol...
We report the observation of negative magnetoresistance in the ferromagnetic semiconductor Ga1−xMnxAs, x=0.05–0.08, at low temperatures T 3 K and low magnetic fields 0 B 20 mT . We attribute this effect to weak localization. Observation of weak localization strongly suggests impurity band transport in these materials, since for valence band transport one expects either weak antilocalization due...
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