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  • Wiley  (43,212)
  • International Union of Crystallography (IUCr)  (6,726)
  • 1975-1979  (49,938)
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  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 280-292 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The concepts embodied in the coincidence-site-lattice theory of grain boundaries are shown to be compatible with a large number of tensor quantities which have their origin in the continuum field theory of dislocations. More specifically such tensor quantities as distortion, grain-boundary dislocation density, and incompatibility have all been developed in terms of a general grain boundary for a continuum as well as for the discrete crystal. A generalized Burgers circuit about an arbitrary grain boundary is also shown to be a natural outcome of the present development.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 386-387 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Calculations show that defects should occur in hexachlorobenzene crystals [typical atom (x, y, z)] consisting of a ½ vacancy, followed by n molecules along [010] with typical atom (x, ½ - y, z), terminated by a 3/2 vacancy. The energy of the defect is predicted as (12 ± 3) + (3 ± 2)n kJ mol-1, with ̃10-5 of the molecules in the crystal misoriented. X-ray diffuse scattering experiments may be interpreted to indicate that this is the defect that occurs, and that it has an energy of (12 ± 2) + (2.6 ± 0.8)n kJ mol-1.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 388-389 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Fourier phase refinement for macromolecular crystal structures can be accomplished using electron density maps sampled at intervals of half the minimum interplanar spacing for which diffraction data have been measured in that direction. Order-of-magnitude economy in computation is thus gained as compared to use of customary sampling rates.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 609-611 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The molecular refractivities of some corticosteroids C21 are calculated from the crystal refractivities. The latter are obtained from the measured principal refractive indices. The orientations of the principal molecular axes with regard to the steroid skeleton are given and the magnetic and optical anisotropies compared.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 602-609 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A probabilistic theory of special quartets is described which is able to fix the sign of reflexions with even indices. The method proves suitable for removing a large percentage of the Σ1 formula failures.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 612-619 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Knowledge of the absolute values of X-ray intensities is highly desirable for a quantitative interpretation of experimental electron densities. In the present work X-ray scale factors are determined by three experimental methods. In the first method, a small aperture is used to measure the direct X-ray beam and the crystal volume is determined by weighing. In the second method, a single-crystal plate large enough to intercept the entire direct beam is used, while the third technique is based on powder diffraction intensity measurements. Scale factors are measured for orthorhombic sulfur, oxalic acid, glycylglycine, hexamethylenetetramine, sodium azide, and ammonium tetroxalate, all of which have been the object of previous electron density distribution studies. Results from the three methods agree within experimental errors and it is concluded that scale factors can be measured with an accuracy of about 1%. Comparison of the experimental scale with the results of various least-squares refinements indicates that scale factors from conventional least-squares refinements contain a considerable bias. Scale factors from refinements with improved models are generally in better agreement with experimental values. The effect of a variation in scale factor on the experimental electron densities is discussed.
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 660-664 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Under irradiation by an intense electron beam a V6O13 crystal reacts with the carbon deposited on the surface during microscopic observation. The structural changes during the reaction were directly observed by means of lattice images, in which the array of VO6 octahedra was resolved. At the initial stage cavities smaller than 20 Å in diameter appear preferentially in the thin part of the crystal and some crystallographic shear planes are formed in their wall. The cavities with the heavily distorted surroundings are seen as white regions. Kinks in lattice fringes, indicating the occurrence of stacking faults, are simultaneously found in the matrix. At the advanced stage the VO2 phase and its twin component are produced. The mechanism of the transition of V6O13 to VO2 can be interpreted in terms of the cooperative movement of octahedra.
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 698-700 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A simple unconstrained steepest-descent procedure is described for the preliminary refinement of protein coordinates in real space. The method is illustrated by application to ribonuclease S.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 704-704 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 705-708 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
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