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1999 (2)
1988 (1)
1Author    C. Margheritis, C. SinistriRequires cookie*
 Title      
 Abstract    This paper describes a method for a simple evaluation of the polarization energy in molten salt systems, by which it is possible to go, without heavy computational cost, from the rigid to the soft ion model. The method is based on the observation that, within the movements of single ions in the Monte Carlo chain, the deviation of the polarization energy is a linear function of the deviation of the Coulomb energy. An extended numerical application has been carried out for molten Lil at 800, 1200 and 1453 (b. p.) K. The parameters that are mostly affected by the used model are put into evidence. 
  Reference    Z. Naturforsch. 43a, 129—132 (1988); received November 19 1987 
  Published    1988 
  Keywords    Interionic potential, Polarization, Monte Carlo, Simulation, Molten Lil 
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 TEI-XML for    default:Reihe_A/43/ZNA-1988-43a-0129.pdf 
 Identifier    ZNA-1988-43a-0129 
 Volume    43 
2Author    Roman GocRequires cookie*
 Title    Monte Carlo Calculation of the Correlation Functions for Molecular Rotation -Application to NMR  
 Abstract    The Monte Carlo method for calculating correlation functions for the rotational motion of atoms is presented. This method applies to crystalline solids and allows the determination of the correlation functions for any model of rotating atoms, molecules or ions constituting the material of interest, if only its crystal structure is known. The presented method permits the calculation of the correlation functions for a whole block of unit cells, not only for a single group of particles. The described method can be employed to calculate correlation functions used in the theoretical description of NMR, dielectric or neutron diffraction experiments. As an example the correlation functions and NMR relaxation time T\ of solid benzene are calculated by the Monte Carlo method for the. 
  Reference    Z. Naturforsch. 54a, 358—364 (1999); received March 9 1999 
  Published    1999 
  Keywords    Correlation Function, Monte Carlo, NMR, Relaxation 
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 TEI-XML for    default:Reihe_A/54/ZNA-1999-54a-0358.pdf 
 Identifier    ZNA-1999-54a-0358 
 Volume    54 
3Author    R. Goc, J. Wąsicki, S. LewickiRequires cookie*
 Title    Ammonium Ions Dynamics in NH 4 Br -Proton NMR T 1 Measurements and Simulations  
 Abstract    Monte Carlo simulation of correlation functions for ammonium bromide have been carried out and the NMR relaxation times T { resulting from these functions were calculated. Results of simulations are compared to experimental values of T x measured in the temperature range 92 K to 292 K. 
  Reference    Z. Naturforsch. 54a, 689—694 (1999); received October 29 1999 
  Published    1999 
  Keywords    NMR, NH 4 Br, Relaxation, Monte Carlo, Simulation 
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 TEI-XML for    default:Reihe_A/54/ZNA-1999-54a-0689.pdf 
 Identifier    ZNA-1999-54a-0689 
 Volume    54