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  • 1
    Electronic Resource
    Electronic Resource
    In-crystal polarizability of the oxide ion (O2-) (1985)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 89 (1985), S. 2581-2585 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100258a031
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  • 2
    Electronic Resource
    Electronic Resource
    Hydration and mobility of ions in solution (1983)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 87 (1983), S. 5071-5083 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j150643a008
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  • 3
    Electronic Resource
    Electronic Resource
    The Raman spectra of alkali halide melts: A theoretical description (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 1980-1990 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A theoretical description of the light scattering (Raman) spectra of molten salts is presented. Expressions are derived to relate the spectra of the fluctuating polarizability induced by the ion Coulomb field and by the dipole–induced dipole mechanism to the spectra of the mass and charge density fluctuations (i.e., the dynamical structure factors). The theory thereby connects the spectral features seen in light scattering to well known dynamical processes in the ionic melt, such as the charge density wave (plasmon) and the ionic diffusive motion. The validity of this description is confirmed by evaluating the theoretical expression, using dynamical structure factors calculated in computer simulations, and comparing it with spectra calculated directly from the simulations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460995
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  • 4
    Electronic Resource
    Electronic Resource
    Light scattering by alkali halide melts: A computer simulation study (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 918-927 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A model for the interaction-induced polarizability of halide ions in condensed phases has been developed from ab initio electronic structure calculations. This model is incorporated into computer simulations of molten LiF, LiCl, and NaCl and used to calculate correlation functions of the polarizability in order to simulate the light scattering spectra. The results for the line shapes, frequency dependent depolarization ratio, and absolute intensity compare extremely well with the available experimental data. The relative importance of the contributions to the interaction-induced spectra from changes in the ionic polarizability caused by short-range overlap, ionic field-induced distortion, and dipole–induced dipole interactions is assessed and their distinctive spectral characteristics identified.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459982
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  • 5
    Electronic Resource
    Electronic Resource
    Interaction-induced light scattering near the glass transition: A computer simulation study (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 6449-6460 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The relationships between dipole-induced dipole (DID) light scattering spectra and other dynamical properties of a fluid close to the glass transition were studied in a computer simulation of a highly supercooled binary atomic fluid. The predictions of the mode coupling theory (MCT) of the glass transition, which relates spectral features in the DID spectra to the relaxation of Fourier components of the density, were examined in detail. The MCT account of the origin of the α and β peaks in the spectra was confirmed, thereby corroborating recent experimental findings. Other issues examined included the role played by compositional fluctuations, the coupling of the DID polarizability to shear waves, and the influence of the range of the intermolecular polarizability on interaction-induced spectra near to the glass transition.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465861
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  • 6
    Electronic Resource
    Electronic Resource
    Scanning Electron Microscopy of Schizogony in Eimeria tenella (1978)
    Oxford, UK : Blackwell Publishing Ltd
    The @journal of eukaryotic microbiology 25 (1978), S. 0 
    Details
    ISSN: 1550-7408
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology
    Notes: SYNOPSIS. Developing 2nd- and 3rd-generation schizonts of Eimeria tenella were found in the ceca of chicks infected orally with sporulated oocysts. Several free 2nd-generation schizonts, which varied in diameter from 11 to 21.6 μm, were found on the epithelial surface of the cecum. Some schizonts appeared to have lost merozoites. Other schizonts were intact, one of which was surrounded by an unbroken membrane that followed the contours of the merozoites. Third-generation schizonts, much smaller than 2nd-generation schizonts and with fewer merozoites, were found only on cut or fractured surfaces of the cecal tissue. Third-generation merozoites appeared shorter and thicker than those of the 2nd-generation and were attached to the schizont residuum. A form with conical protuberances and another with 4 triangular segments were found; they were believed to be developing stages 3rd-generation schizonts.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1550-7408.1978.tb03895.x
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  • 7
    Electronic Resource
    Electronic Resource
    Cluster Formation in Sodium-Doped Zeolite Y: Ab-Initio Simulation Study (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 6697-6714 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100017a062
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  • 8
    Electronic Resource
    Electronic Resource
    Molecular dynamics simulations of compressible ions (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 8068-8081 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A representation of the short-range repulsion energy in an ionic system is described which allows for the fact that an ion may be compressed by its neighbours. The total energy of the system is expressed in a pairwise additive form, but the interionic interactions have a many-body character. The form of this representation and the parameters required to represent MgO and CaO are obtained from recent ab-initio electronic structure calculations. The fact that the representation is transferable between crystals with different coordination number is demonstrated by direct comparison with ab-initio results on the different crystal types. Comparison with experimental results on the equation of state of different isomorphs and on the location of the pressure of the transition between them confirms the accuracy of the ab-initio results and of the potential derived from them in representing perfect crystal properties. A computationally efficient molecular dynamics (MD) scheme may be derived for this representation. The additional degrees of freedom which represent the varying ionic radii are constrained to their adiabatic values in the course of the simulation by an adaptation of Car and Parrinello's method. The MD scheme is used to examine whether an ab-initio parameterized potential model which allows for the spherical compression of an oxide ion by its neighbours and for dipole polarization effects is a sufficiently good representation of the interactions in MgO to allow an accurate calculation of the phonon dispersion curves. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471523
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  • 9
    Electronic Resource
    Electronic Resource
    Light Scattering Studies of Molecular Liquids (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Physical Chemistry 31 (1980), S. 523-558 
    Details
    ISSN: 0066-426X
    Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1146/annurev.pc.31.100180.002515
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  • 10
    Electronic Resource
    Electronic Resource
    The nature of the "vibrational modes" of the network-forming liquid ZnCl2 (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 9859-9869 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The atomic motions responsible for features seen in the spectra of network-forming liquids above the relaxational frequency domain are conventionally described as vibrational, with the nature of the vibrational modes described either as local vibrations of the tetrahedral units of the network or as extended, phonon-like vibrations, depending on the standpoint of the observer. The validity of these apparently conflicting pictures of the atomic motions is examined by an instantaneous normal mode (INM) analysis of the network-forming liquid ZnCl2. Projections of the INM eigenvectors onto the idealized modes provides a way of quantifying the relationship between the actual and idealized modes. It is shown that individual INMs do not remotely conform to the modes envisaged in the simple pictures. Nevertheless, at the more coarse-grained level of identifying contributions to the density of states, the simple pictures do provide a qualitative guide to the character of the features which are observed. These findings apply to the modes calculated with several different models of the interactions, and appear to be fairly general. A detailed examination of the nature of the INMs which appear in the frequency domain of the boson peak observed in ZnCl2 is carried out and it is shown that these modes have a mixed acoustic wave and local torsional character. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477655
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