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  • Artikel  (2)
  • Crystal water  (1)
  • quantum theory  (1)
  • Aluminum oxide
  • Springer  (2)
  • American Chemical Society (ACS)
  • Elsevier
  • Geological Society of America (GSA)
  • 2010-2014
  • 1990-1994  (2)
  • Physik  (2)
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  • Artikel  (2)
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  • Springer  (2)
  • American Chemical Society (ACS)
  • Elsevier
  • Geological Society of America (GSA)
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  • 2010-2014
  • 1990-1994  (2)
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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    European biophysics journal 21 (1992), S. 313-320 
    ISSN: 1432-1017
    Schlagwort(e): Monte Carlo ; Crystal water ; Structure refinement
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Biologie , Physik
    Notizen: Abstract The space in the unit cell of a metmyoglobin crystal not occupied by myoglobin atoms was filled with water using Monte Carlo calculations. Independent calculations with different amounts of water have been performed. Structure factors were calculated using the water coordinates thus obtained and the known coordinates of the myoglobin atoms. A comparison with experimental structure factors showed that both the low and the high resolution regime could be well reproduced with 814 Monte Carlo water molecules per unit cell with a B-value of 50 Å2. The Monte Carlo water molecules yield a smaller standard R-value (0.166) than using a homogeneous electron density for the simulation of the crystal water (R = 0.212). A reciprocal space refinement of the water and the protein coordinates has been performed. Monte Carlo calculations can be used to obtain information for crystallographically invisible parts of the unit cell and yield better coordinates for the visible part in the refinement.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    Springer
    Foundations of physics 3 (1990), S. 249-254 
    ISSN: 1572-9524
    Schlagwort(e): quantum theory ; fundamentals ; uncertainty relation violations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract Arranging target atoms in a plane monolayer, one may produce by atomic or nuclear reaction an ensemble of particles with small initial position spread without disturbing their momentum spread. This would either allow a violation of Heisenberg's uncertainty relation, by creating a situation not described by quantum mechanics hence rendering quantum mechanics incomplete, or, if the uncertainty relation should hold also in this non-disturbative situation, it would mean a permanent violation of energy conservation. Thus an uncertainty relation for position and momentum and energy conservation appear to be mutually exclusive.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
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