نتایج جستجو برای: electron localization function

تعداد نتایج: 1602634  

Journal: :Oncology reports 2012
Yi Shen Yan Chu Yan Yang Zehua Wang

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...

1999
M. Leadbeater M. Schreiber

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...

Journal: :Journal of computational chemistry 2007
Anthony Scemama Michel Caffarel Andreas Savin

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...

2016
Ali Seifitokaldani Aïmen E. Gheribi Anh Thu Phan Patrice Chartrand Mickaël Dollé

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...

1999
R. A. Römer M. Leadbeater M. Schreiber

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 ...

Journal: :Physical review letters 2010
Bettina Fischer Manuel Kremer Thomas Pfeifer Bernold Feuerstein Vandana Sharma Uwe Thumm Claus Dieter Schröter Robert Moshammer Joachim Ullrich

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...

2007
L. P. Rokhinson Y. Lyanda-Geller Z. Ge S. Shen X. Liu M. Dobrowolska J. K. Furdyna

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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