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1993 (1)
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1Author    A. I. Melker, D. B. Mizandrontzev, V. V. SirotinkinRequires cookie*
 Abstract    a lc u la tio n o f E n e rg y C h a r a c te r is tic s o f P o in t D e fe c ts in bcc Iro n b y M o le c u la r D y n a m ic T e c h n iq u e The influence of the calculation procedure on the energy characteristics of vacancies and helium impurities in a-iron is considered. Calculations are performed with the help of long-range oscillating interatomic pair potentials found on the basis of a model pseudopotential approach. It is shown that for improving the convergence of the lattice sums one must introduce space windows. The best results were obtained with the Vashista-Singwi local-field correction and the modified window-modulation interatomic potential based on the Heine-Abarenkov pseudopotential with the Animalu formfactors. 
  Reference    Z. Naturforsch. 46a, 233—239 (1991); received August 6 1990 
  Published    1991 
  Keywords    Interatomic potentials, Pseudopotentials, Point defect Helium, Binding energy 
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 TEI-XML for    default:Reihe_A/46/ZNA-1991-46a-0233.pdf 
 Identifier    ZNA-1991-46a-0233 
 Volume    46 
2Author    WolfA. Kafka, Jürgen NeuwirthRequires cookie*
 Title    A Model of Pheromone Molecule-Acceptor Interaction  
 Abstract    Multiple binding interactions between odor molecules and acceptors are formulated by means of the Boltzmann statistics and intermolecular bond energies. Number, spatial arrangement and elec­ tronic properties of binding positions of the acceptor can be defined such that the specificity of sex pheromone receptors in male noctuid moths is quantitatively described. 
  Reference    (Z. Naturforsch. 30c, 278 [1975]; received November 8 1974) 
  Published    1975 
  Keywords    Receptor, Acceptor-sites, Binding Energy, Specificity, Pheromone 
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 TEI-XML for    default:Reihe_C/30/ZNC-1975-30c-0278.pdf 
 Identifier    ZNC-1975-30c-0278 
 Volume    30 
3Author    Erich WeigoldRequires cookie*
 Title    Recent Advances in Electron Momentum Spectroscopy  
 Abstract    The flexibility of the (e, 2e) technique or "electron momentum spectroscopy" (EMS) in obtaining information on the electronic structure of atoms, molecules, and solids is demonstrated. High-resolution EMS measurements for argon, including the first measurements of momentum profiles belonging to the 2 P° and 2 D e -manifolds, are used to demonstrate the technique for atomic targets. The d-wave transitions in argon are entirely due to initial-state correlations. The first (e, 2e) measure-ments on an excited target, and also on an oriented target, are discussed. Sodium atoms are pumped to the m, = +1 state of the excited 3p-state by cr + -light from a laser. The (e, 2e) measurements on this excited state are in excellent agreement with the momentum density given by the 3p (m, — 1) Hartree-Fock wavefunction. The recent measurements of the valence-electron momentum distribu-tions for ethyne, as well as some earlier results for water, are used as an example of the application of EMS to the study of molecules. The application of the EMS technique to measure spectral momentum densities in condensed-matter targets is demonstrated by some recent results on amor-phous carbon. 
  Reference    Z. Naturforsch. 48a, 371—389 (1993); received March 28 1992 
  Published    1993 
  Keywords    Electron momentum densities, Electron momentum spectroscopy, Wavefunction map-ping, Binding energies 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-0371.pdf 
 Identifier    ZNA-1993-48a-0371 
 Volume    48