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  • 1
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 88-90 (Jan. 1992), p. 639-646 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 96-103 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The structure of sodium chloride has been studied by gas-phase electron diffraction using photographic plates designed for high-temperature work [Kakumoto, Ino, Kodera & Kakinoki (1977). J. Appl. Cryst. 10, 100-103]. The molecular structure at about 1130 K has been determined by an analysis based on the new complex scattering factors for Na+ and Cl- calculated recently by the present authors. The radial distribution function shows the existence of a considerable amount of dimer molecules in the vapor. The structures of the monomer and dimer have been analyzed by a least-squares method assuming that the dimer is of a planar diamond shape: for monomer ra(Na--Cl) = 2.392 ± 0.028, for dimer ra(Na-Cl) = 2.515 ± 0.017, ra(Cl-Cl) = 3.893 ± 0.021 Å, ∠ClNaCl = 101.4 ± 0.8°. The present study indicates that the Na--Cl distance of the dimer is longer than that of the monomer and the determined structure parameters differ appreciably from existing theoretical predictions.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 35 (1979), S. 171-176 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The diffraction profile for a small crystallite has been obtained as the orientational average of the diffraction intensity given by Ino & Minami [Acta Cryst. (1979), A35, 163-170]. The formula obtained is a type of Debye interference function modified by a function {cal V}(r) (the self-convolution of a crystal shape function) and is expressed as a sum over all the atomic distance vectors in the crystal structure. Since the set of the vectors has Laue symmetry (the order of the group: L), the summation can be simplified to a sum over a reduced range corresponding to 1/L of the original range, while the {cal V}(r) is changed to {\bar v}(r) = ΣLp = 1= {cal V}(Rpr)/(LVt) (Vt: volume of the crystal; R1, . . . , RL: element of Laue symmetry group). Once the {\bar v} function is determined, the profile for a complicated crystal of any size and any crystal system can be systematically and efficiently calculated.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 35 (1979), S. 163-170 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A general method of calculating the intensity of X-ray diffraction from small crystalline particles whose boundary is defined by a shape function is discussed. The intensity formula which is generally given by a double sum over the reciprocal-lattice points is simplified into the form of a single sum, using 'the random-shift treatment' which assumes that the position of the boundary relative to the crystal lattice varies at random from crystal to crystal. By the use of Fourier theorems, the intensity formulas are also converted into a single sum over the direct lattice. Although the electron distribution in the particle has been defined in various ways by the shape function, a more reasonable expression of the electron density appropriate to small crystals is introduced. The intensity formulas derived on the basis of the new form of the electron density are compared with other intensity formulas which have so far been proposed.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 316-321 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The elastic electron scattering factors and phases for eleven alkali and halide ionized atoms, Li+, Li2+, Li3+, Na+, K+, Rb+, Cs+, F-, CI-, Br- and I-, have been calculated by the partial wave method for impact energies of 10, 40, 70 and 100 keV. Clementi analytic Hartree-Fock wavefunctions were used except for Li2+ whose wavefunction was hydrogen-like, Li3+ whose potential was purely Coulombic, and Rb+, Cs+, Br- and I- for which potential functions estimated from the X-ray scattering factors were used. The calculated scattering factors and phases for the ionized atoms have been compared with those for neutral atoms in International Tables for X-ray Crystallography [(1974). Vol. IV, pp. 176-269. Birmingham: Kynoch Press]. It has been found that the difference in the scattering phase between the neutral and ionized atom is almost constant except for small s and that the magnitude of the difference for a given valence of the ionized atom and a particular impact energy is nearly independent of the atomic number.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 40 (1984), S. 538-544 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The exact intensity formula of the h-line profile from small crystallites has been obtained as the orientational average of the diffraction intensity of the h plane given by Ino & Minami [Acta Cryst. (1979), A35, 163-170]. While the formula is expressed as a triple integral including a sine Fourier integral, it can be expressed asymptotically with respect to the crystal size according to the theorem of asymptotic expansion of a Fourier integral. Hence the profile can be estimated by the sum of terms of single-integral type. The first term is of the same type as Wilson's formula but it has been shown that second and third terms improve considerably the accuracy of the asymptotic estimation especially for a very small crystal. The h-line profile can be successfully calculated for quite a small crystal of any shape and any crystal system by the asymptotic formula, which can be computed as easily as Wilson's formula.
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 43 (1987), S. 49-54 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The diffraction intensity from small crystallites with lattice vibrations is expressed by a sum over direct-lattice points as previously described, using atomic scattering factors modified by the anisotropic vibration tensor β specified by the lattice vibration, the thermal diffuse scattering not being taken into account. Since the temperature factor for the atomic pair of the αth and βth atoms is βα + ββ, the factor is proved to have the same rotation symmetry as the Laue symmetry corresponding to the atomic distance vector of the pair, rα̃β = rα - rβ. Consequently the intensity profile for the crystallites with lattice vibrations can be systematically and effectively calculated similarly to the crystallites without vibrations by virtue of the Laue symmetry, while an orientational average over the scattering vector b of exp [-{\bf {\tilde {b}}(βα + ββ)b + 2πib . rαβ] is required instead of exp (2πib . rαβ). The double integral for the average can be expanded asymptotically with respect to rαβ to the third term by Fourier integral theory. It is concluded that (1) the first term corresponds to the formula derived by James [Phys. Z. (1932). 33, 737-754] and gives the correct value only if the vibration tensor is isotropic; (2) the second and third terms are required to correct for the anisotropy of the tensor.
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  • 8
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Biochemical and Biophysical Research Communications 152 (1988), S. 257-263 
    ISSN: 0006-291X
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Physics
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  • 9
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Biochemical and Biophysical Research Communications 152 (1988), S. 257-263 
    ISSN: 0006-291X
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Mutation Research/Environmental Mutagenesis and Related Subjects 130 (1984), S. 365 
    ISSN: 0165-1161
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Medicine
    Type of Medium: Electronic Resource
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