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1980[X]
161Author    D. H. SutterRequires cookie*
 Title    A Note on the Off-Diagonal Elements of the Density Matrix in Thermal Equilibrium and Thermal Radiation  
 Abstract    A closer look at the off-diagonal elements of the density matrix of a thermal gas phase molecular ensemble reveals, that they lead to a contribution to thermal radiation which increases in power proportional to the number of particles. A quantitative comparison of this contribution to the one originating from spontaneous emission is given. In treatments of relaxation processes in gas phase spectroscopy the off-diagonal elements of the den-sity matrix are usually set to zero in thermal equi-librium [1]. To justify this approximation the fol-lowing argument is used: "Due to collisions the phases, cpv, of the contributions of the individual molecules will be statistically spread and if the ensemble comprises a sufficiently large number of particles, N, the sum 1 £ • > e l<p ' n A e may be approximated by the integral which is zero". However, since one is usually interested to calculate most probable values for macroscopic observables, for instance the polariza-tion of a sample, the factor 1 jN, present in the ex-pression for the density matrix elements, is com-pensated by another factor of N (see below) and the basic problem is essentially that of calculating the N most probable absolute value of the sum 2 el<F '-With increasing N this value is known to go to infinity proportional to j/IV rather than to zero. Thus it is not immediately obvious that 
  Reference    Z. Naturforsch. 35a, 992—994 (1980) 
  Published    1980 
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 Identifier    ZNA-1980-35a-0992_n 
 Volume    35 
162Author    Hans SallhoferRequires cookie*
 Title    Elementare Herleitung der Dirac-Gleichung. IV  
 Abstract    Elementary Derivation of the Dirac Equation. IV This paper attempts to make evident the basic ideas behind the alternative electrodynamic model of the hy-drogen atom. 
  Reference    Z. Naturforsch. 35a, 995—996 (1980); eingegangen am 5. August 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-0995_n 
 Volume    35 
163Author    Torgny SjödinRequires cookie*
 Title    A Note on Poincare's Principle and the Behaviour of Moving Bodies and Clocks  
 Abstract    Exploiting the wave properties of light, the isotropy of space, and the homogeneity of space and time, the functions describing the behaviour of moving bodies and clocks are derived from Poin-care's principle about the impossibility to detect absolute motion. 
  Reference    Z. Naturforsch. 35a, 997—1000 (1980); received November 17 1979 
  Published    1980 
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 Identifier    ZNA-1980-35a-0997 
 Volume    35 
164Author    R. M. Agarwal, R.P S RathoreRequires cookie*
 Title    Phonon Dispersion in Noble Metals  
 Abstract    A new lattice dynamical model comprising various interactions among the constituents of noble metals is developed. The model assumes central core-core coupling extending to the first neighbours only. Overlap interactions among neighbouring d-shells are expressed in terms of an an-gular parameter. Volume interactions for core-conduction electrons and d-shell-conduction elec-trons are described through a simple expression. Interactions between core and d-shell are also accounted for adequately. The lattice is considered in equilibrium under the volume dependent energy of cores, conduc-tion electrons and the d-shell electrons. The obtained dispersion relations for copper and silver are compared with (a) experimental data, (b) results of a recent first-principle calculation and (c) results of a recent phenomenological study. 
  Reference    Z. Naturforsch. 35a, 1001—1005 (1980); received March 18 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1001 
 Volume    35 
165Author    MyriamS. De Giambiagi, Mario Giambiagi, HenriqueG P Lins De BarrosRequires cookie*
 Title    Convergence Problems and Energetic Regions in n Excited States of Certain Conjugated Molecules  
 Abstract    When calculating n bond orders of excited and superexcited states of conjugated molecules, difficulties arise in applying the variation method; besides, the convergence problems involved are well known. For pyridazine, chosen for discussion, 27 states are considered; the convergence problem is envisaged through two criteria in the choice of a parameter introduced in the compro-mise Hamiltonian. This convergence parameter is related to the variation method. There exist three particular solutions for bond orders, which divide the 27 states into energetical regions. 
  Reference    Z. Naturforsch. 35a, 1006—1012 (1980); received June 10 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1006 
 Volume    35 
166Author    Friedrich Seitz, TerenceE. Wood, Peter DayRequires cookie*
 Title    Optical Spectroscopy of Mixed Metamagnetic Fe,Co,_xCl2 Crystals  
 Abstract    Electronic absorption spectra are reported for single crystals of composition Fe^Coi-^C^ as a function of temperature from 300 K to 4 K. A broad band at 436 nm is assigned to Fe (II) -> Co (II) charge transfer and the temperature dependence of its intensity is related to the magnetic ex-change between the ions. The 2 Txg(2 H) excitation of Co (II) in the mixed crystals has an unusual temperature dependence which correlates with the Neel temperature. 
  Reference    Z. Naturforsch. 35a, 1013—1019 (1980); received July 26 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1013 
 Volume    35 
167Author    E. Ibisch, U. AndresenRequires cookie*
 Title    High Resolution Spectroscopy of the v5 Band of Fluoroform-d (CDF3) by the Laser Stark Method  
 Abstract    The j'5 perpendicular band of CDF3 has been studied by means of laser Stark spectroscopy using the 10.4 [xm band of the 12 C 16 02 and the 12 C 18 02 laser as infrared radiation sources. The assignment was established for more than 500 resonances. The majority of them was measured in saturation dip technique. A least-squares analysis of the Stark spectrum, together with recent microwave and infrared results, gave the rotation-vibration parameters and the dipole moment of the j'5 state. A brief description of the apparatus is also given. 
  Reference    Z. Naturforsch. 35a, 1020—1029 (1980); received July 19 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1020 
 Volume    35 
168Author    C. Bojarski, E. GrabowskaRequires cookie*
 Title    Effect of Acceptor Concentration upon Donor Fluorescence Decay and Quantum Yield  
 Abstract    The fluorescence decay times (r/to) and quantum yields (rj/rjo) of rhodamine 6G (donor) in their dependence on the concentration of malachite green (acceptor) in ethanol were measured for the donor to acceptor concentration ratios yn/yA 3.48 and 0.35. At fixed the values of T/TO and r]/r]o are markedly lower for the systems with higher yr>/yA-The experimental results are compared with the theory of a multistep excitation energy transfer from donor to acceptor. Good agreement between theory and experiment was found for the critical distances Hod = 60.7 A and i?oA = 53.8Ä calculated from spectroscopic data. In the case of ynlyx = 0.35, the experi-mental results can also be properly described using the Förster-Galanin theory, whereas for the system with yn/yA — 3.48 the multistep energy transfer plays a significant role. 
  Reference    Z. Naturforsch. 35a, 1030—1035 (1980); received June 27 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1030 
 Volume    35 
169Author    PaulR. Gerber, Martin Schadt, F. Hoffmann, -La Roche, Co, LtdRequires cookie*
 Title    On the Measurement of Elastic Constants in Nematic Liquid Crystals: Comparison of Different Methods  
 Abstract    Different methods of measuring elastic constants of nematic liquid crystals by deformation of homogeneously and homeotropically oriented layers through external magnetic and electric fields, respectively, are critically examined. Possible sources of uncertainties are quantitatively explored. An approximative numerical fitting procedure is proposed allowing to take conduc-tivity effects in electrically deformed layers up to large conductivities and/or temperatures into account. A novel, accurate and simple monitoring method to determine twist elastic constants is described. The measurements of the temperature dependence of the splay bend and twist elastic constants of the positive dielectric mixture R0-TN-403 are presented. 
  Reference    Z. Naturforsch. 35a, 1036—1044 (1980); received June 19 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1036 
 Volume    35 
170Author    Masao Hashimoto, Norbert Weiden, Alarich WeissRequires cookie*
 Title    Chlorine NQR on Derivatives of Chloral  
 Abstract    The 35 C1-NQR spectrum of several derivatives of chloral, Cl3CCHO, was studied in the ranee 77 K ^ T Tm. By use of the spin echo double resonance technique a relative assignment of the resonances to different ClaC-groups within one crystallized compound was possible. The solid com-pounds studied are: High temperature phase of chloral hydrate, Cl3CCH(OH)2; parachloral, (Cl3CCHO)3, (a-and ß-isomer); the two phases of chloral hemihydrate CI3CCHO • 1/2 H20; chloralide (II); chloralhemithiohydrate, CI3CCHO • 1/2 H2S. The structure of the molecules in the solid state and the fade out of the NQR resonances are discussed. 
  Reference    Z. Naturforsch. 35a, 1045—1053 (1980); received July 28 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1045 
 Volume    35 
171Author    FriedrichFranz SeeligRequires cookie*
 Title    Unrestricted Harmonic Balance A General Method to Evaluate Periodic Structures in Time and/or Space of Arbi- trary Stability for Non-linear Chemical Reaction and Reaction-Diffusion Systems. I. Theory and Computer Program for Time-dependent Systems  
 Abstract    Periodic structures in chemical kinetic systems can be evaluated by an extension of the well-known method of harmonic balance, which yields very simple expressions in the case of linear systems containing only zero and first order reactions. The far more interesting non-linear systems containing e.g. second order reactions which in case of open systems far from thermodynamic equilibrium give rise to non-classical phenomena like oscillations, chemical waves, excitability, hysteresis, multistability, dissipative structures etc. can be treated in a similar way by introducing new pseudo-linear quantities utilizing certain group properties of harmonic expansions. The resulting complicated implicit non-linear algebraic equations are solved by a method developed by Powell and show good convergence. Since this method — in contrast to the conventional method of simulation — is independent from the stability of the periodic structure to be evaluated it can even be applied to unstable cases where the simulation method necessarily fails. An evalua-tion of the stability is included in the developed computer program. 
  Reference    Z. Naturforsch. 35a, 1054—1061 (1980); received July 26 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1054 
 Volume    35 
172Author    S. J. Cvvin, J. Brunvoll, B. N. Cyvin, M. Somer, W. BrocknerRequires cookie*
 Title    Schwingungsberechnungen des käfigstrukturierten P4S3  
 Abstract    Molecular Vibration Analysis of cage-like P4S3 The P4S3 molecule is supposed to have a cage-structure of C3V symmetry. A normal coordinate analysis for this molecule was performed, based on a very simple initial force field with three numerical parameters and valence coordinates including redundancies. A complete set of inde-pendent symmetry coordinates is given. The force field was refined by adjusting the symmetry force constants to fit exactly a set of observed frequencies. This final force field was used to cal-culate the first-order Coriolis coupling coefficients and the mean amplitudes of vibrations. The standard thermodynamics functions from spectroscopic data are also given. 
  Reference    Z. Naturforsch. 35a, 1062—1065 (1980); eingegangen am 28. Juli 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1062 
 Volume    35 
173Author    P. Rosmus, E.-A ReinschRequires cookie*
 Title    Calculation of Molecular Constants for the Ground States of the NeH + and KrH + Ions  
 Abstract    Potential energy and dipole moment functions have been calculated for the ground states of the NeH+ (1.0 ^ R ^ 15 a. u.) and the KrH+ (1.6 ^ R ^ 20 a. u.) ion from highly correlated SCEP/VAR and SCEP/CEPA electronic wave functions. The following spectroscopic constants have been derived: Ne2<>H+ re = 0.996±0.003 A, we = 2896±20cm" 1 , D0(Ne + H+) = 2.10 ± 0.05 eV; Kr 84 H + re = 1 -419 ± 0.003 Ä, we = 2561 ±20 cm" 1 , Z>0(Kr + H+) = 4.65 ±0.05 eV. The Einstein transition probability coefficients of spontaneous emission have been calculated for all transitions of Ne 20 H+, Ne 20 D + , Kr 84 H+ and Kr 84 D+, respectively. 
  Reference    Z. Naturforsch. 35a, 1066—1070 (1980); received July 23 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1066 
 Volume    35 
174Author    A. H. JubertRequires cookie*
 Title    Recombination Constants Calculation of Reactions between Fluorine Atoms and and CIF  
 Abstract    Recombination constants for reactions between fluorine atoms and CO, NO2, SO3, FSO3, CIO2, NF2 and CIF were calculated by means of a method developed by J. Troe. N2 was used as bath gas and a temperature of 300 K was considered. The following values were obtained: 1.7 x 10 16 , 9.2 x 10 16 , 2.2 X 10 17 , 7.0 X 10 18 , 1.7 X 10 19 , 2.6 x 10 17 , 1.0 X 10 17 , 2.3 X 10 16 cm« mol" 2 s~i respectively. 
  Reference    Z. Naturforsch. 35a, 1071—1075 (1980); received July 22 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1071 
 Volume    35 
175Author    M. Siegmund, J. BendigRequires cookie*
 Title    Die Lösungsmittelabhängigkeit der Elektronenspektren und die Änderung der Dipoleigenschaften N-substituierter Acridone bei elektronischer Anregung  
 Abstract    The absorption and fluorescence spectra of acridone, N-methylacridone and N-phenylacridone are measured at 298 K for 35 solvents of different polarity. For the long wave 1 La-transition, which shows a distinct positive solvatochromism, the oscillator strenght and the natural fluo-rescence lifetime are calculated. The change of the dipole moment (pa.), determined from the Stokes' shift as a function of solvent polarity, is nearly parallel to that of the ground state (pg). The absolute values and directions of pg and pe confirm the increasing polar character of the Si-state within the sequence N-phenylacridone, acridone and N-methylacridone. These values are used for an interpretation of the charge distribution and solvatation of the So-and Si-states. By consideration of the solvent relaxation and the activation energy of the temperature depen-dent S1-T2 intersystem crossing process it is shown that in addition to the decrease of the Si-energy with increasing solvent polarity the T2-energy increases relative to So, especially in the case of protic solvents. 
  Reference    Z. Naturforsch. 35a, 1076—1086 (1980); eingegangen am 5. April 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1076 
 Volume    35 
176Author    P. S. Grover, M.S A Muhammed, S. A. SaraiRequires cookie*
 Title    Equilibrium Positron Decay Rates in Helium  
 Abstract    Equilibrium positron decay rates in helium gas have been computed over a wide range of temper-atures and electric fields based on the model due to McEachran et al. [7]. Agreement between the theoretical and experimental values of the decay rate at room temperature and zero electric field is quite good. 
  Reference    Z. Naturforsch. 35a, 1087—1089 (1980); received June 6 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1087 
 Volume    35 
177Author    GregoryM. Neumann, PeterG. Cullis, PeterJ. DerrickRequires cookie*
 Title    Mass Spectrometry of Polymers: Polypropylene Glycol  
 Abstract    Mass spectra have been measured, using the field desorption technique, for polypropylene glycols with nominal mass-average relative molecular masses of 1000, 2000, 3000 and 4000. Ions of up to mjz 7400 have been observed. Major peaks in the spectra correspond to (M-f H) + ions. (M + Na) + ions are observed if sodium iodide is added to the sample. There are strong peaks corresponding to fragmentation of the polymer chains close to their termini. It is suggested that these fragmentations are induced by the strong electric fields at the emitter. 
  Reference    Z. Naturforsch. 35a, 1090—1097 (1980); received July 30 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1090 
 Volume    35 
178Author    N. C. HaiderRequires cookie*
 Title    Structure Analysis of Vacuum-Deposited Mg Thin Films  
 Abstract    Thin films of Mg, in the thickness range of 23,000 ~ 93,000 A, were prepared at 10~ 6 Torr pres-sure and 45° C temperature. The x-ray diffraction spectra (XDS) have been measured for several reflections with crystal monochromated and Ni-filtered CuKai radiation. A detailed Fourier anal-ysis of the broadening of x-ray lines indicated very strong effects of the oxidation of the surface, thermal stress along 100 and 002 planes, and preferred orientation along 002 planes parallel to the surface of the substrate. 
  Reference    Z. Naturforsch. 35a, 1098—1103 (1980); received July 30 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1098 
 Volume    35 
179Author    H. StumpfRequires cookie*
 Title    Functional Quantum Theory of the Nonlinear Spinor Field as a Lepton-Hadron Model with Quark- Confinement  
 Abstract    The non-canonical Heisenberg dipole regularization of a nonlinear spinor field is interpreted as a system of lep-ton quark pairs in the one-particle sector. In the frame-work of functional quantum theory a method is given to derive an independent lepton-quark dynamics with quark confinement from the fundamental spinor field. Functional quantum theory is a new formulation of quantum theory and a new field theoretic calcu-lational procedure which allows the treatment of quantized fields with positive metric as well as with indefinite metric beyond perturbation theory. It was developed by Stumpf and coworkers, cf. Stumpf [1]. In particular, it was devoted to the evaluation of Heisenberg's quantized nonlinear spinor equation with dipole ghost regularization, cf. Heisenberg [2]. The basic idea of this approach is to regularize the non-renormalizable nonlinear spinor field by a combination of a real physical particle, a monopole ghost particle and a dipole ghost particle in the one-particle sector of the cor-responding state space. This leads to an indefinite metric in this space. In order to achieve a correct physical and probabilistic interpretation of this regularization procedure, the ghost particles must have the following properties: i) To any physical particle state with positive norm in the one-particle sector belongs one monopole ghost state and one dipole ghost state which have to be combined in such a way that the propagator of the spinor field contains no singular distributions. ii) The monopole ghost states must have vanishing norm and have to be included in the physical state space, while the dipole ghosts have to form the unphysical part of the state space. The latter condition leads immediately to uni-tarization. The weakest assumption with respect to unitarization is that the dipole ghosts are not 0340-4811 / 80 / 1000-1104 $ 01.00/0. -Please < allowed to form ingoing or outgoing states in scattering processes. Heisenberg [2] demonstrated for the Lee model that under this assumption uni-tarization is possible. To perform this kind of uni-tarization for the relativistic nonlinear spinor field, functional quantum theory is needed. It should be noted that under this assumption no local physical and probabilistic interpretation of the quantized spinor field is possible. Rather this interpretation is confined to the asymptotics, i.e. to the ^-matrix. Furthermore, it is tacitly assumed that the many-particle sectors of the state space which contain besides scattering states also bound states, do not show any irregular behavior, i.e. that from these sectors only the free many-particle dipole ghost states have to be excluded while all other states must be physical ones. This, of course, has to be proven by direct construction as for bound states no general statements can be made. For this con-struction functional quantum theory is needed. With respect to the identification of the physical particles resulting from the quantized spinor field, the physical particles of the one-particle state sector should be identified with the pointlike par-ticles occurring in nature, while all other particles are considered to be bound states of the spinor field. In the original version of Heisenberg [2] the physical one-particle states were assumed to re-present nucleons, i.e . the theorj^ was based on the idea that the hadrons are the fundamental point-like particles, w T hile, without detailed discussion, the leptons were sometimes identified with the dipole ghosts, cf. Heisenberg [2], Dürr [3]. The recent developments of elementary particle physics, however, indicate that just the opposite role of leptons and hadrons might be successful for an explanation of the elementary particle spectrum, i.e. that the leptons should be identified with the fundamental particle states of the one-particle sector with positive norm, while quasi-hadrons should be considered as ghost particle states with indefinite metric. The present experimental identification rests on the following scheme of leptons and quarks, Harari [4], Zichichi [5] and corresponding right-handed singlets, er a reprint rather than making your own copy. Notizen 1105 
  Reference    Z. Naturforsch. 35a, 1104—1107 (1980); received July 31 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1104_n 
 Volume    35 
180Author    H. P. TrivediRequires cookie*
 Title    Equivalence of the Variational Criteria in the Calculation of the Nuclear Spin-Spin Coupling Constant of HD  
 Abstract    Using symmetry arguments it is shown that the variation of the self coupling, the cross coupling and the total second order energy are equivalent criteria for the calculation of the nuclear spin-spin coupling constant of HD and larger symmetric molecules. A previously given condition guaran-teeing this equivalence is shown to be unnecessarily restric-tive. A wide variety of perturbation-variation methods have been applied to the study of the nuclear spin-spin coupling constant of the simplest system, the molecule HD. Distinction has been routinely made [1—5] between the results obtained using three variational criteria-namely, the variation of (i) the self coupling energy, (ii) the cross coupling energy, and (iii) the total second order energy. It has been stated [6] that the three criteria become equivalent if, and only if, the perturbed wavefunc-tions and are expanded over the same bases [7]. As it stands, this condition appears somewhat arbitrary and physically unsatisfactory because of its bases dependence. In this letter we seek a physical basis for it and find that it implies a cer-tain unnecessarjr restriction on the form of the per-turbed wavefunction ip^. We also point out that the charge symmetry of the nuclear framework directly guarantees a unique result and hence the equivalence of the three variational criteria for HD. This result is subsequently generalised to larger symmetric molecules. The proof is trivial and goes as follows. We rewrite the contact perturbation 
  Reference    Z. Naturforsch. 35a, 1108—1109 (1980); received May 27 1980 
  Published    1980 
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 Identifier    ZNA-1980-35a-1108_n 
 Volume    35 
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