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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 52 (1930), S. 581-582 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Pure and applied geophysics 102 (1973), S. 78-90 
    ISSN: 1420-9136
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Summary In this paper we discuss the propagation of Rayleigh type waves in an elastic medium with two horizontal layers overlying a semi-infinite elastic medium above which lies a liquid layer. The upper solid layer is taken to be transversally isotropic the elastic properties of which are given by the strain energy volume density function $$2 W = A(e_{xx^2 } + e_{yy^2 } ) + Ce_{xx^2 } + 2 F(e_{xx} + e_{yy} ) e_{zz} + 2(A - 2 N) e_{xx } e_{yy} + L(e_{yz^2 } + e_{zx^2 } ) + Ne_{xy^2 } .$$ The liquid layer is assumed to be homogeneous. The equation giving the wave velocity as a function of wave number is determined as a determinant of eleventh order which has further been simplified for different particular cases. The numerical solution of the problem will be conveyed in the next paper.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 4397-4406 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An analysis of electronic polarizabilities, interionic potentials, and equilibrium geometries for 20 alkali–halide dimers such as Na2Cl2 is presented. The electronic polarizabilities of ions in dimers have been calculated by taking account of the electrostatic potential due to neighboring ions within the Seitz–Ruffa energy level analysis. The polarizabilities thus obtained for dimers are then used to evaluate the magnitudes of polarization energies and van der Waals dipole–dipole energies. For describing the overlap repulsive potential we have adopted two forms: (i) the revised version of the Born–Mayer potential and (ii) the Harrison form for the overlap repulsive energy. These potentials have been used to obtain the binding energies of monomers as well as dimers, spectroscopic constants of monomers, equilibrium geometries of dimers, and dimerization energies. The results have been discussed and compared with available experimental data.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 2845-2849 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The kinetic energy anisotropy is examined for 18 different diatomic molecules of the type A2, AO, and AF with A=Li, Be, B, C, N, O, and F. The dimensionless measure α=(Tz−Tx)/T, where Tz and Tx, respectively, are the bond-parallel and bond-perpendicular components of the total electronic kinetic energy T, is confirmed to be useful for interpretative studies. It is shown that the orbital values of α in free atoms depend only on the angular momentum quantum numbers, and can be expressed in terms of a Condon–Shortley coefficient. Comparison of α values for individual molecular orbitals with their free atom counterparts enables one to classify molecular orbitals in terms of their parent atomic orbitals. In favorable cases, α values can also be used to estimate the extent and nature of reorganization of each orbital upon bond formation. The total molecular value of α correlates roughly with the difference between the numbers of pσ and pπ electrons.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 958-962 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Moments, 〈pk〉, of the momentum distribution and density power integrals, Ik=∫ρ1+k/3dτ in which ρ is the charge density, with −2≤k≤4 are computed for 35 ground state diatomic molecules at equilibrium using self-consistent-field wave functions of nearly Hartree–Fock quality. These data are then used to test various relationships between 〈pk〉, Ik, and the interelectronic repulsion Vee. Empirical bounds to 〈pk〉 in terms of Ik are found. Moreover, empirical approximations to 〈pk〉 in terms of Ik for −1≤k≤4 are given; these have median errors not exceeding 2% for the 35 diatomics under consideration. Gradient-free density functional approximations, in both position and momentum space, to Vee with median errors of less than 5% are presented.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 3577-3583 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A variety of local correlation energy functionals are currently in use. All of them depend, to some extent, on modeling the correlation energy of a homogeneous electron fluid. Since atomic and molecular charge densities are neither uniform nor slowly varying, it is important to attempt to use known high accuracy wave functions to learn about correlation energy functionals appropriate to such systems. We have extended the definition of the correlation energy generating potentials Vc introduced by Ros. A charge density response to correlation has been allowed for by inclusion of an electron–nuclear component Venc in addition to the electron–electron component Veec. Two different definitions of Venc are given. We present the first calculations of Vc for a molecular system—H2. The results show that Venc, in either definition, is by no means negligible. Moreover, Veec and both forms of Venc show significant nonlocal dependence on the charge density. Calculations with ten different model correlation energy functionals show that none of them is particularly sensitive to the charge density. However, they are quite sensitive to the parametrization of the electron fluid correlation energy. The schemes which include self-interaction corrections (SIC) are found to be superior to those of Kohn–Sham type. The correlation energy generating potentials implied by the SIC type and empirical correlation energy functionals are found to correspond roughly to averages of one of the accurate potentials.
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 1573-0832
    Keywords: Antigen detection ; Aspergillus ; Western blot immunoassay
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract Western-blot immunoassay of cerebrospinal fluid (CSF) specimens of patients with central nervous system (CNS) aspergillosis (3), CNS candidosis (1) and bacterial meningitis (2) was carried out using pooled serum from histopathologically proven deep-seated aspergillosis cases to detect unique antigenic fractions for aspergillosis in CSF. No reactivity was observed in patients with non-fungal meningitis. Four cross-reactive bands (40, 90, 200 and 〉200 KD) were detectable in CSF from patients with both aspergillosis and candidosis of the CNS. Four additional bands (90–200 KD) were consistently present only in patients with aspergillosis. One prominent band (110 KD) was found only in the patient with aspergillosis who had a fatal outcome and raised the possibility of being a poor prognostic marker.
    Type of Medium: Electronic Resource
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  • 8
    ISSN: 1573-0832
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 187 (1930), S. 237-240 
    ISSN: 0863-1786
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 1. Die Niederschläge, welche man erhält durch Oxydation und Photooxydation von Ammoniumrhodanid, sind Gemische verschiedener Zusammensetzung, welche abhängig ist:a)von der Stärke der benutzten Lösung undb)von der Menge des als Verunreinigung vorhandenen Eisens.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Fresenius' Zeitschrift für analytische Chemie 101 (1935), S. 47-50 
    ISSN: 1618-2650
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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