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1993 (1)
1Author    N. Ghermani, C. Lecomte, N. BouhmaidaRequires cookie*
 Title    Electrostatic Potential from High-Resolution X-Ray Diffraction. Application to a Pseudo-Peptide Molecule  
 Abstract    The calculation of the electrostatic potential of a molecule removed from the crystal lattice is derived from the parameters obtained by a kappa refinement and by a Hansen-Coppens electron density model. These calculations in direct space are applied to N-acetyl-a,/?-dehydrophenylalanine; deformation potentials calculated by Fourier transformation are compared to those obtained in direct space. 
  Reference    Z. Naturforsch. 48a, 91—98 (1993); received December 23 1991 
  Published    1993 
  Keywords    Electrostatic potential, Kappa refinement, Multipole refinement, Peptides, Net charges 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-0091.pdf 
 Identifier    ZNA-1993-48a-0091 
 Volume    48