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1985 (209)
21Author    Thomas Lieser, KonradG. WeilRequires cookie*
 Title    Thermodynamics of Ag°-Solvation in Molten Silver Halides, Doped with Metal Halides  
 Abstract    From the temperature dependence of the solubility of silver in its molten halides, the thermo-dynamic functions AH S0lv and zl5 solv are calculated. They depend strongly on the presence and concentration of mono-and divalent cations. A possible structure breaking effect of these ions is discussed. 
  Reference    Z. Naturforsch. 40a, 131—136 (1985); received December 2 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0131 
 Volume    40 
22Author    Yoshichika Yoshioka, Nobuo Nakamura, Hideaki ChiharaRequires cookie*
 Title    F High-Resolution Nuclear Magnetic Resonance Study of Structure and Properties of Crystalline sy/w-C 6 Cl 3 F3  
 Abstract    From the high-resolution L9 F NMR spectrum of single crystal S}W-C6C1 3 F 3 its chemical shift shielding tensor is determined. The most shielded direction lies perpendicular to the molecular plane and the least shielded one in the molecular plane perpendicular to the C-F bond. The most (CT 33) and least (an) shielded components change significantly in going from 5vw-C 6 H 3 F3 and JJW-C6C13F 3 to C 6 F 6 whereas the component in the C-F bond direction (0-22) changes little. It is concluded that the 7r-electron density distribution varies little but the cr-electron density is changed when other substituents are introduced. At 20 °C the 5VW-C6C1 3 F 3 molecule rotates about its figure axis and its motion averages out the shielding tensor components within the molecular plane. The mode of the molecular motion does not change at the phase transition point (296 K) and up to the melting point in the time scale of l9 F high-resolution spectra. 
  Reference    Z. Naturforsch. 40a, 137—141 (1985); received November 2 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0137 
 Volume    40 
23Author    J. Waite, M. G. PapadopoulosRequires cookie*
 Title    The Effect of Structural Changes on the Polarizability and Second Hyperpolarizability in Some Benzene Isomers and Their Anions  
 Abstract    The polarizability and second hyperpolarizability of fulvene, dimethylene-cyclobutene, tri-methylene-cyclopropane, bicyclopentadiene-propane, bicyclopentadiene-propene, Dewar benzene, benzvalene and several of their anions are computed, employing a CNDO coupled Hartree-Fock procedure. The interaction of the lone pair on the anionic center with double and single bonds, the HOMO-LUMO gap, and substituent effects are employed to illuminate the structure-polarization relationship. An approximate, computationally found formula for the second hyperpolarizability is proposed. 
  Reference    Z. Naturforsch. 40a, 142—148 (1985); received December 6 1984 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0142.pdf 
 Identifier    ZNA-1985-40a-0142 
 Volume    40 
24Author    H. Zimmermann, HeidelbergR. Poupko, Z. Luz, J. BillardRequires cookie*
 Title    Pyramidic Mesophases  
 Abstract    Two series of mesogenic compounds consisting of a rigid pyramidal central core and six equal flexible side chains were synthesized and their mesomorphic properties studied by calorimetry and optical microscopy. The two series of compounds are: I-hexaalkyloxytribenzocyclononene and II-hexaalkanoyloxytribenzocyclononene. In series I, enantiotropic mesophases appear for homologues in which the number, n, of carbon atoms in each side chain is equal or larger than six, while for series II mesomorphism is exhibited for all the compounds studied (8-15). Some of these exhibit dimorphism (i.e. 1-11 and 11-12 to 11-14) and even trimorphism (11-11). In total Five different mesophases are identified in both series. Several of these are stable at room temperature. Optical measurements indicate that they are not layered, they appear to be columnar. Due to the pyramidal shape of the central core of the constituent molecules special molecular arrangements for these mesophases are possible. It is suggested to call them pyramidic mesophases. 
  Reference    Z. Naturforsch. 40a, 149—160 (1985); received December 13 1984 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0149.pdf 
 Identifier    ZNA-1985-40a-0149 
 Volume    40 
25Author    H.-U Finzel, P. WißmannRequires cookie*
 Title    Monte-Carlo Calculations of the Electrical Resistance of Ultra-Thin Metal Films  
 Abstract    The thickness dependence of the electrical resistance of ultra-thin metal films is calculated under the assumption that atoms or clusters of equal shape and size impinge and stick upon the substrate with statistical equipartition. The deposition process is simulated with the aid of a random generator. By network analysis an initially strong and then weaker decrease of the re-sistance with increasing film thickness is found. 
  Reference    Z. Naturforsch. 40a, 161—163 (1985); received December 7 1984 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0161.pdf 
 Identifier    ZNA-1985-40a-0161 
 Volume    40 
26Author    H. Van Houten, W. A. Von Marinelli, J.J M BeenakkerRequires cookie*
 Title    An Upper Limit for Birefringence in the Boundary Layer of a Heat Conducting Gas  
 Abstract    The Waldmann-Vestner theory for boundary layer effects in polyatomic gases in the near-hydrodynamic regime predicts that in a rarefield heat conducting gas the boundary layers will be birefringent due to the presence of second rank angular momentum polarization. An experiment has been set up in order to measure the birefringence as a function of the distance to the bound-ary. However, no effect could be detected for N 2 and C0 2 within the sensitivity of the experi-ment. This corresponds to an upper limit for the birefringence, which is a factor 6 smaller than expected. These results are in contrast to the qualitative data reported earlier in the literature; no conclusions can be drawn, however, about the validity of the Waldmann-Vestner theory. 
  Reference    Z. Naturforsch. 40a, 164—168 (1985); received November 14 1984 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0164.pdf 
 Identifier    ZNA-1985-40a-0164 
 Volume    40 
27Author    E. Haindl, K. Möbius, H. OloffRequires cookie*
 Title    A 94 GHz EPR Spectrometer with Fabry-Perot Resonator  
 Abstract    An EPR spectrometer is described working in the 94 GHz (W-band) frequency range. It comprises a Fabry-Perot type microwave resonator connected to a conventional microwave bridge, a phase lock loop for microwave frequency stabilization, and a superconducting magnet. The improved separation of W-band spectra from two sites with only slightly different ^-factors is demonstrated using an a-bromo radical in an X-irradiated 5-bromodeoxyuridine single crystal as example. 
  Reference    Z. Naturforsch. 40a, 169—172 (1985); received November 26 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0169 
 Volume    40 
28Author    Frank SpieweckRequires cookie*
 Title    A Phenomenological Theory of Gravitation Based on a Generalization of the Special Relativistic Energy Aspect  
 Abstract    The special relativistic time dilatation and length contraction formulae are written in a general form containing only the ratio of the total energy and the rest energy. Then, it is assumed that the total energy may not only consist of the rest energy and the translational energy but also of the rest energy and potential or rotational energy. Restricted transformations are given, describing the transition between local systems of refer-ence; in this case, the Euclidean geometry is needed only. The dependencies of frequency v, velocity of light c, and inertial mass m on the scalar gravitational potential U, v' =v(l -A U/c 2)/M 1 — A lß/c 4 , c' = c(1 -AU/c 2)/(l +AU/c 2), m' = m[(1 + A U/c 2)/\ 1 -A lß/c A }\ to first order of A U/c 2 , are the same ones as known from the theory of general relativity. Besides the dependencies of physical quantities on the scalar potential U, the dependencies on a gravitational vector potential A, e.g., a rotational potential, are given, too. In an appendix, a gravitational field theory is presented, for which the same phenomenology can be used. 
  Reference    Z. Naturforsch. 40a, 173—182 (1985); received October 17 1984 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0173.pdf 
 Identifier    ZNA-1985-40a-0173 
 Volume    40 
29Author    H. StumpfRequires cookie*
 Title    Effective Interactions of Relativisic Composite Particles in Unified Nonlinear Spinor-Field Models. II  
 Abstract    Unified nonlinear spinor field models are selfregularizing quantum field theories in which all observable (elementary and non-elementary) particles are assumed to be bound states of fermionic preon fields. Due to their large masses the preons themselves are confined. In preceding papers a functional energy representation, the statistical interpretation and the dynamical equations were derived. In this paper the dynamics of composite particles is discussed. The composite particles are defined to be eigensolutions of the diagonal part of the energy representation. Corresponding calculations are in preparation, but in the present paper a suitable composite particle spectrum is assumed. It consists of preon-antipreon boson states and three-preon-fermion states with corresponding antifermions and contains bound states as well as preon scattering states. The state functional is expanded in terms of these composite particle states with inclusion of preon scattering states. The transformation of the functional energy representation of the spinor field into composite particle functional operators produces a hierarchy of effective interactions at the composite particle level, the leading terms of which are identical with the functional energy representation of a phenomenological boson-fermion coupling theory. This representation is valid as long as the processes are assumed to be below the energetic threshold for preon production or preon break-up reactions, respectively. From this it can be concluded that below the threshold the effective interactions of composite particles in a unified spinor field model lead to phenomenological coupling theories which depend in their properties on the bound state spectrum of the self-regularizing spinor theory. PACS 11.10 Field theory PACS 12.35 Composite Models of Particles 4. Ouster Functional Derivatives In the preceding section we discussed the truncat-ed functional equation (3.1) with respect to the definition of single cluster states. If the dynamics of cluster interactions is to be considered we need the complete functional equation (1.11) or (1.15), re-spectively, of our HDNSF model in the energy representation. According to our program we trans-form not only the states but also this equation into a cluster representation. In doing so the sources them-selves as well as their derivatives have to be expressed in terms of cluster operators. For the sources the corresponding formulae are given by 
  Reference    Z. Naturforsch. 40a, 183—190 (1985); received September 15 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0183 
 Volume    40 
30Author    A. Wildermuth, P. Lamparter, S. SteebRequires cookie*
 Title    Neutron Diffraction with the Metallic Glass Ni 31 Dy 69 (+ 10 a/o D) Using Isotopic Substitution  
 Abstract    By neutron diffraction using the method of isotopic substitution with the amorphous alloy Ni 31 Dy 69 the partial structure factors S^Ni, ^DyDy» an d SNiDy were obtained, furthermore with the same specimen containing 10 a/o deuterium a partial structure factor S DD resulted. For the evaluation of S D p it was necessary to perform the neutron diffraction experiment with an alloy whose both compo-nents were zero scattering isotopic mixtures of Ni or Dy, respectively. 
  Reference    Z. Naturforsch. 40a, 191—192 (1985); received January 17 1985 
  Published    1985 
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 Identifier    ZNA-1985-40a-0191_n 
 Volume    40 
31Author    K. MurawskiRequires cookie*
 Title    A Note on Solutions of the Korteweg-de Vries Equation  
 Abstract    A new method to construct solutions of the Korteweg-de Vries equation and an example of such a solution are given. 
  Reference    Z. Naturforsch. 40a, 193—194 (1985); received October 22 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0193_n 
 Volume    40 
32Author    MichaelC. BöhmRequires cookie*
 Title    On the Role of the Nonlocal Hartree-Fock (HF) Exchange in Narrow-Band Materials  
 Abstract    The influence of the nonlocal Hartree-Fock (HF) exchange in narrow-band materials with finite band gaps is analyzed. The mean-field Hamiltonian in the crystal orbital (CO) basis contains two ^-dependent matrix elements responsible for the dispersion of the one-electron levels: the classical tight-binding integrals (kinetic energy of the electrons) that decay ex-ponentially as well as the (non)local exchange. The asymptotic behavior of the two-electron potential is determined by the fall-off of the intercell bond-order matrices; their range exceeds significantly the spatial extension of the A>dependent one-electron integrals. The analytic structure of the HF dispersions of narrow-band systems (weak intercell interactions) is largely influenced by the magnitude of the Fermi-correlation beyond the direct neighbors. The asso-ciated e(k) curves differ strongly from idealized tight-binding relations. The bands are broadened and show enhanced energy gradients in certain domains of ^-space. Nonlinearities in the e(k) relations are a direct consequence of finite neighbor's approximations adopted for the evaluation of the lattice sums. The analytic structures of such HF bands are intermediate between idealized tight-binding relations of covalent solids, on one side, and HF dispersions of metals in (nearly-)free electron-gas approximations, on the other, that show divergent e(k) gradients at the Fermi level. The exchange influence in insulating narrow-band materials is restricted to the filled one-particle space; this is demonstrated by a perturbational analysis. The crucial importance of reliable numerical integration procedures for the determination of the intercell bond-order matrices is pointed out. Standard techniques may lead to artificial periodicities pretending unphysical decay properties of the electronic exchange. Dispersion patterns of a simple one-orbital model are analyzed as a function of the mutual strength of the kinetic hopping integrals and the HF exchange as well as the spatial extension of the &-depen-dent two-electron potential. The validity of the theoretical expectations deduced from simple model calculations is studied for two complex polymers. Important one-electron properties of one-dimensional (ID) porphyrinato nickel(II) derivatives (2 and 3) are investigated by means of semiempirical SCF (self-consistent-field) HF INDO (intermediate neglect of differential overlap) CO calculations. The lattice spacings of 2 and 3 differ by 0.31 A. This geometrical distinction allows for an inversion of the relative importance of the ^-dependent one-and two-electron contributions to the mean-field operator. The exchange influence on the width of the HF dis-persion in 3 exceeds the one-electron part by nearly one order of magnitude. It is shown that band structure properties of narrow-band systems are neither properly described by one-electron models of the Wolfsberg-Helmholtz-type nor by bare (unscreened) HF dispersions. The width of a mean-field band calculated within a nonlocal exchange approximation has to be corrected for quasi-particle (QP) interactions beyond the HF scheme (i.e., long-range and short-range correlations and relaxations) as well as for electron (optical) phonon interactions. The phononic coupling leads to a narrowing of the band width via Franck-Condon-like vibrational overlaps; this part is independent of the theoretical details of the electronic structure investigation. Important physical consequences of the exchange-control in narrow-band solids are shortly dis-cussed. 
  Reference    Z. Naturforsch. 40a, 195—221 (1985); received December 17 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0195 
 Volume    40 
33Author    M. Jerosch-Herold, L.-T Lu, D.D R T Torgeson, R. G. Peterson, Barnes, P. M. RichardsRequires cookie*
 Title    Hydrogen Vacancy Diffusion Parameters in ScH 2 _ x and ScD 2 -x from 45 Sc Spin-Lattice Relaxation Time Measurements  
 Abstract    The temperature dependence of the nuclear spin-lattice relaxation rate R\ of 45 Sc has been measured in scandium dihydrides and dideuterides. These data are satisfactorily accounted for by two contributions to /?,, R ]e due to conduction electrons, and R ]Q due to quadrupole inter-action fluctuations resulting from vacancy diffusion on the hydrogen (deuterium) sublattice. Describing these fluctuations by a Lorentzian spectral density and Arrhenius behavior for the vacancy hopping, analysis of the data yields values of the Korringa product A = 77/? ]e and the activation energy £ a and attempt frequency v 0 for vacancy-diffusion. In contrast to v 0 values based on proton measurements, the 45 Sc results agree satisfactorily with the value based on inelastic neutron scattering measurements of hydrogen optic mode vibration frequencies, v 0 = 2 x 10 14 s _1 . We conclude that hydrogen-hydrogen interactions are responsible for the lower v 0 values derived from proton R\ measurements. 
  Reference    Z. Naturforsch. 40a, 222—228 (1985); received December 17 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0222 
 Volume    40 
34Author    L. Schwabe, W. HaaseRequires cookie*
 Title    On the Magnetic behaviour of Tetrakis|2-Diethylamino- Ethanolato-/i 3 -0-Copper(II)-Isocyanate| * Trichloromethane, C28H 5 6CU4N 8 08 * CHCI3, a Tetrameric Copper(II) Complex with Antiferromagnetic Ground State  
 Abstract    The magnetic susceptibility of the title compound C 28 H 56 Cu 4 N 8 0 8 • CHC1 3 in the temperature range of 5.1 to 280.6 K will be reported. The magnetic exchange integrals were evaluated on the basis of the isotropic Heisenberg-Dirac-van Vleck-model. The magnetic behaviour is similar to the solvent free modification of the title compound, obtained by recrystallization from benzene. 
  Reference    Z. Naturforsch. 40a, 229—232 (1985); received December 29 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0229 
 Volume    40 
35Author    M. K. Haj-Abdallah, H. Pascher, H. G. Häfele, A. Ruoff, H. EssigRequires cookie*
 Title    Vibrational Spectra and Force Constants of Symmetric Tops VL [1 j Spin Flip Raman Laser Spectra and Rotational Analysis of (V! + v 2 ) of CF3CI and CF 3 Br  
 Abstract    The IR spectra of gaseous CF 3 C1 and CF 3 Br with natural isotopic abundances have been investigated in the region 1830-1900 cm -1 with a resolution of 0.01cm" 1 or better using a Q-switched spin-flip Raman laser (SFRL). Both J and K structure of the parallel band (v, + v 2) have been resolved partly for both isotopomers of CF 3 C1 and CF 3 Br, respectively. The analysis has been performed by the usual least squares method. Additionally the J clusters of some hot bands have been observed and analyzed. 
  Reference    Z. Naturforsch. 40a, 233—238 (1985); received December 6 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0233 
 Volume    40 
36Author    V. O. Saik, O. A. Anisimov, V. V. Lozovoy, YuN. MolinRequires cookie*
 Title    Fast Reactions Involving Radical-Cations During their Geminate Recombination as Studied by the OD ESR Method  
 Abstract    Dedicated to Professor Schulte-Frohlinde on the Occasion of his 60 th Anniversary The new method of optically detected ESR (OD ESR) of radical-ion pairs has been used to study fast radical-cation reactions in non-polar liquid solutions. Dimeric radical-cations have been observed to occur within the time of geminate recombination with radical-ions; their generation rate has been determined. The spectral line broadening with increasing acceptor con-centration has been associated with ion-molecular charge transfer; the rate of this process has also been determined. 
  Reference    Z. Naturforsch. 40a, 239—245 (1985); received November 22 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0239 
 Volume    40 
37Author    M. Primorac, K. KovačevićRequires cookie*
 Title    An Application to H$ of Laplace Type Integral Transform and its Inverse  
 Abstract    Laplace type integral transformation (LIT) has been applied to wavefunctions. The effect of the inverse transform is also discussed. LIT wavefunctions are tested in the calculation of the ground-state energy of HI, where the untransformed functions were Is, 12s, 123s and 1234s-STO. The results presented here show that LIT wavefunctions are applicable in molecular com-putations. The analytical formulae for two-centre one-electron integrals over LIT wavefunctions are derived by use of a Barnett-Coulson-like expansion of r N b (r h + p)~\ 
  Reference    Z. Naturforsch. 40a, 246—250 (1985); received September 3 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0246 
 Volume    40 
38Author    K. DrägerRequires cookie*
 Title    Das ESR-Linienprofil antiferromagnetischer Verbindungen und die Abweichungen von der Lorentz-Form  
 Abstract    The ESR-absorption of Antiferromagnetic Compounds and its Deviation from the Lorentzian Profile The ESR-absorption of antiferromagnetic compounds is usually described by a Lorentzian profile given by (1 + z 2) -1 with z=(H -H 0)/AH. To obtain further improvements an additional term of 4th order is introduced. This modified profile given by (1 +z 2 + az 4) -1 with a>0 changes the properties of several ESR parameters. First of all there is a finite second moment which is given by a -1/4 • AH. For small values of a the integrated intensity will be reduced by a 1/2 while the differentiated line-width AH pp increases linearly with x. The application of this modified Lorentzian profile to the ESR spectra of antiferromagnetic Cr 2 0 3 and MnF 2 results in an improved fit. In both cases, the parameter x took on values between (20-100) • 10~ 4 . For Cr 2 0 3 there is an increase of x for rising temperature in the range from 320 K to 520 K. The second moment of Cr 2 0 3 at T= 330 K was found to be 2100 G. For MnF 2 a value of 1225 G was derived which is in rough accordance with results of Van Vleck's theory of line broadening. 
  Reference    Z. Naturforsch. 40a, 251—259 (1985); received December 20 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0251 
 Volume    40 
39Author    Th Blümel, H. StegemeyerRequires cookie*
 Title    On the Habit of Blue Phase II Liquid Single Crystals  
 Abstract    The growth of Blue Phase II liquid single crystals directly from the isotropic melt has been investigated in a mixed system of cholesteryl valerate and the nematogenic compound 80BE by means of polarizing microscopy. Besides quadratic single crystals showing strong Bragg reflection additionally crystals of regular triangular habit with no detectable selective reflection have been found caused by the growth determining crystallographic form {111}. 
  Reference    Z. Naturforsch. 40a, 260—262 (1985); received December 19 1984 
  Published    1985 
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 Identifier    ZNA-1985-40a-0260 
 Volume    40 
40Author    G. Bestmann, H. DreizlerRequires cookie*
 Title    Determination of a High Barrier Hindering Internal Rotation from the Ground State Spectrum. The Methylbarrier of 1-Butyne  
 Abstract    With 1-butyne a series of barrier determinations from rotational spectra in the torsional ground state of ethyl compounds was continued. The barrier is different to the value from an analysis of the rotational spectrum of the first torsional state. 
  Reference    Z. Naturforsch. 40a, 263—266 (1985); received January 15 1985 
  Published    1985 
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 Identifier    ZNA-1985-40a-0263 
 Volume    40 
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