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1985 (209)
101Author    M. ZanderRequires cookie*
 Title    On Topology-Property Relations of Polycyclic Aromatic Hydrocarbons  
 Abstract    The hydrogen-depleted graphs of polycyclic aromatic hydrocarbons contain two types of vertices (with regard to their degree) and correspondingly three types of edges. The respective sums of these edges reflect the molecular topology of the hydrocarbons and were used for con-structing a new topological index for kata-annellated aromatic hydrocarbons that correlates well with their topological resonance energies per electron. Dependent on the degrees of their first neighbours, the vertices of degree 2 of polycyclic hydrocarbons can be distinguished as to high, medium and low chemical reactivity of the corresponding carbon atoms, in agreement with the results from MO theory and experiments. 
  Reference    Z. Naturforsch. 40a, 636—638 (1985); received April 18 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0636.pdf 
 Identifier    ZNA-1985-40a-0636 
 Volume    40 
102Author    M. Campos-Vallette, C. A. Acevedo-Gonzalez, G. Diaz, F., R. Peña, C.Requires cookie*
 Title    Coriolis Coupling Constants and Inertia Defect of Urea  
 Abstract    Coriolis coupling constants and the inertia defect for urea have been calculated using force constants obtained by the iterative consistency method. The Coriolis coupling constants are very sensitive to the force constant variation and the value of the inertia defect is calculated to be 0.0119 umaA 2 . 
  Reference    Z. Naturforsch. 40a, 639—643 (1985); received January 19 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0639.pdf 
 Identifier    ZNA-1985-40a-0639 
 Volume    40 
103Author    SupotV. Hannongbua, BerndM. RodeRequires cookie*
 Title    An Intermolecular Potential Function for Cyclen-Water Derived from Ab-initio Molecular Orbital Calculations  
 Abstract    An interaction pair potential function for 1,4,7,10-tetraaza-cyclododecane (cyclen) and water has been derived from ab-initio molecular orbital computations. The 250 computed points of the energy surface for the water-cvclen interaction have been fitted with an analytical potential of the form 3 32 (kcal-mol" 1) = X Z 1" // • ?,+ Bff /r)j + 1/r y) (1 Q b + Df* //-,)}, /= i ./= l where A, B. C, and D are constants, and Q, and QJ are the atomic charges of the /-th atom of water and the j-th atom of cyclen at infinite separation. 
  Reference    Z. Naturforsch. 40a, 644—648 (1985); received April 29 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0644.pdf 
 Identifier    ZNA-1985-40a-0644 
 Volume    40 
104Author    A. K. Chakraborty, H. P. MazumdarRequires cookie*
 Title    A Note on the Stratified Turbulent Flow with no Shear  
 Abstract    The spectral characteristics of turbulent kinetic energy of a stratified turbulent flow with no shear are described within the framework of similarity theory. 
  Reference    Z. Naturforsch. 40a, 649—650 (1985); received December 16 1984 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0649_n.pdf 
 Identifier    ZNA-1985-40a-0649_n 
 Volume    40 
105Author    Hans SallhoferRequires cookie*
 Title    Elementary Derivation of the Dirac Equation. IX  
 Abstract    The transversality in the electrodynamic hydrogen field is discussed. In [1] the attempt is made to ensure the obligatory transversality of the electrodynamic hydrogen field through the requirement that the inner product of the field with centrally directed vectors should vanish because of its central symmetry. Another problem there was the establishment of the field components having the same phase velocity. 
  Reference    Z. Naturforsch. 40a, 651—652 (1985); received May 9 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0651_n.pdf 
 Identifier    ZNA-1985-40a-0651_n 
 Volume    40 
106Author    J. S. Mshana, A. S. KrauszRequires cookie*
 Title    Rate Dependent Constitutive Equations of Cyclic Softening  
 Abstract    Constitutive equations of cyclic strain and stress softening for materials with low internal stress levels are derived from the rate theory. The study shows that over the high stress and low temperature range where the description of plastic flow in cyclic softening can be approximated with activation over a single energy barrier, cyclic strain softening is well related to stress relaxation process while cyclic stress softening is related to creep process. The material structural characteristics for cyclic strain softening, cyclic stress softening and stress relaxation are identical. Subsequently, it is shown that cyclic stress and strain softening within the high stress and low temperature range can be evaluated from the constitutive equations using the material structural characteristics measured from a simple stress relaxation test. 
  Reference    Z. Naturforsch. 40a, 653—665 (1985); received December 8 1984 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0653.pdf 
 Identifier    ZNA-1985-40a-0653 
 Volume    40 
107Author    H. TassoRequires cookie*
 Title    Generalized Hamiltonians, Functional Integration and Statistics of Continuous Fluids and Plasmas  
 Abstract    Generalized Hamiltonian formalism including generalized Poisson brackets and Lie-Poisson brackets is presented in Section II. Gyroviscous magnetohydrodynamics is treated as a relevant example in Euler and Clebsch variables. Section III is devoted to a short review of functional integration containing the definition and a discussion of ambiguities and methods of evaluation. The main part of the contribution is given in Sect. IV, where some of the content of the previous sections is applied to Gibbs statistics of continuous fluids and plasmas. In particular, exact fluctuation spectra are calculated for relevant equations in fluids and plasmas. 
  Reference    Z. Naturforsch. 40a, 666—673 (1985); received May 18. 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0666.pdf 
 Identifier    ZNA-1985-40a-0666 
 Volume    40 
108Author    H. V. Weyssenhoff, H. L. Selzle, E. W. SchlagRequires cookie*
 Title    Laser-Desorbed Large Molecules in a Supersonic Jet  
 Abstract    A new technique of desorption of non volatile thermally unstable molecules into a supersonic jet has been developped. With this method isolated large molecules are now available for mass spectrometry as well as for spectroscopic studies at temperatures of a few Kelvin, thus avoiding spectral congestion. It could be demonstrated that molecules like tryptophane and retinal could be desorbed with an IR laser pulse without decomposition and be ionized with a second UV laser to form bare molecule ions without fragmentation. 
  Reference    Z. Naturforsch. 40a, 674—676 (1985); received April 29 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0674.pdf 
 Identifier    ZNA-1985-40a-0674 
 Volume    40 
109Author    Helmut Gottwald, Thomas Lieser, KonradG. Weil, Alarieh WeissRequires cookie*
 Title    Properties of Cold Condensed Silver Chloride and of Cocondensed Silver/Silver Chloride Films I. UV-VIS-Spectra  
 Abstract    When vapor of silver chloride is condensed with rates below 1 nm • min -1 onto a substrate at T= 10 K, a non-crystalline film grows. Typical of this film is the absence of the exciton absorption at 240 nm and the presence of a broad absorption extending to wavelengths > 300 nm. When the film is tempered for a few minutes at T> 170 K, it shows the typical UV-VIS-spectrum of crystalline AgCl. When silver is cocondensed with silver chloride, additional absorption around 300 nm can be observed. This situation is stable up to temperatures of T ^ 200 K. Then silver chloride crystallizes and silver is precipitated, leading to Mie scattering at wavelengths around 500 nm. Concondensation of silver stabilizes the non-crystalline state with respect to deposition temperature and deposition rate. Also the transition temperature non-crystalline/crystalline is increased. 
  Reference    Z. Naturforsch. 40a, 677—682 (1985); received May 8 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0677.pdf 
 Identifier    ZNA-1985-40a-0677 
 Volume    40 
110Author    S. C. Mehrotra, H. H. Dreizler, MäderRequires cookie*
 Title    /-Dependence of r 2 -Parameters for Rotational Transitions of S0 2 and CH 3 OH in /if-Band  
 Abstract    With the help of a microwave Fourier transform spectrometer in the range from 18 GHz to 26 GHz, the coefficients ß for the linear pressure depedence of collisional dephasing rates \/T 2 have been determined by the transient emission technique for fourteen pure rotational transitions of S0 2 with 5 ^ J' ^ 66 in the ground vibrational state, twelve transitions with 8 ^ J' ^ 62 in the first excited bending vibrational state, and twelve transitions of methanol with 11, where J' is the rotational quantum number of the upper level of a transition. The 7Vparameter ß for the transition i(A"_, K +) = 49(4, 46)-48(5, 43) of S0 2 in the ground state shows an anomalous behaviour, whereas the values for all other transitions show a ./-dependence in accordance with previous results. No significant variation of TVparameters with J has been found for the rotational transitions of CH 3 OH. 
  Reference    Z. Naturforsch. 40a, 683—685 (1985); received May 10 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0683.pdf 
 Identifier    ZNA-1985-40a-0683 
 Volume    40 
111Author    W. Klöpffer, G. Kaufmann, R. FrankRequires cookie*
 Title    Phototransformation of Air Pollutants: Rapid Test for the Determination of k OH  
 Abstract    An empirical correlation between the k OH rate constants in air and in water is derived from literature values. A simple method to measure /: 0H in water has been used. In addition, it is demonstrated that the reactivity of organic chemicals with the OH radical in Freonll3 is proportional to their reactivity in air. 
  Reference    Z. Naturforsch. 40a, 686—692 (1985); received April 15 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0686.pdf 
 Identifier    ZNA-1985-40a-0686 
 Volume    40 
112Author    M. Woznyj, H.-D LüdemannRequires cookie*
 Title    The Pressure Dependence of the Phase Diagram t-Butanol/Water  
 Abstract    The phase diagram t-butanol/water is studied in the temperature range between 200 and 450 K at pressures up to 200 MPa. No liquid/liquid phase separation is observed in this range. The solid/liquid phase diagram reveals the presence of a stable t-butanol/dihydrate at all pres-sures. At the t-butanol rich side of the diagram solid mixtures with compositions t-butanol/water ~ 5 :1 and ~ 6 : 1 are observed. 
  Reference    Z. Naturforsch. 40a, 693—698 (1985); received May 4 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0693.pdf 
 Identifier    ZNA-1985-40a-0693 
 Volume    40 
113Author    H.-D Autenrieth, B. Kottmann, S. Kemmler-SackRequires cookie*
 Title    Photolumineszenz und sensibilisierte IR-Emission der dreiwertigen Seltenen Erden in Ca 3 La2Te 2 Oi2  
 Abstract    By activation of the new host lattice Ca 3 La2Te20 12 with trivalent rare earth ions an emission in the visible (Ln 3+ =Sm, Eu, Tb, Dy, Ho, Er, Tm) or near infrared region (Nd, Ho, Er, Tm, Yb) is observed. Energy transfer from Nd 3 + to Yb 3+ , from Er 3+ , Yb 3+ to Ho 3+ and from Yb 3+ to Tm 3+ has been found to occur. The excitation, emission and diffuse reflectance spectra are analyzed. 
  Reference    Z. Naturforsch. 40a, 699—705 (1985); received April 29 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0699.pdf 
 Identifier    ZNA-1985-40a-0699 
 Volume    40 
114Author    N. Bhacca, L. KlasincRequires cookie*
 Title    Photoelectron Spectra and Electronic Structure of Some Steroids  
 Abstract    Gas phase Hel photoelectron spectra of 5 a-androstane, 5 a-androstan-3-one and 5 a-androstan-17-one compared with those of other saturated cyclic hydrocarbons and ketones indicated that the electronic effect of a keto group in steroids is rather local i.e. extending over about two rings. 
  Reference    Z. Naturforsch. 40a, 706—708 (1985); received May 17 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0706.pdf 
 Identifier    ZNA-1985-40a-0706 
 Volume    40 
115Author    S. J. Cyvin, B. N. Cyvin, C. Wibbelmann, R. Becker, W. Brockner, M. ParensenRequires cookie*
 Title    Synthesis, Vibrational Spectra and Normal Coordinate Analysis of Cesium-Hexathiohypodiphosphate CS4P2S6  
 Abstract    The title compound has been prepared by elemental synthesis at high temperatures and also by reaction of Na 4 P 2 S 6 • 6 H 2 0 with CsCl in aqueous solution. Both reaction products have closely related vibrational spectra which are assigned on the basis of a P 2 Sg anion with perturbed D 3d symmetry. A normal coordinate analysis has been performed using a force Field with 4 initial force constants. The refined force Field, potential energy distribution (PED), mean amplitudes of vibration and Coriolis coupling constants are given. 
  Reference    Z. Naturforsch. 40a, 709—713 (1985); received May 3 1985 
  Published    1985 
  Keywords    Cesiumhexathiohypodiphosphate, Cs 4 P 2 S 6, Vibration Spectra, Normal Coordinate Analysis 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0709.pdf 
 Identifier    ZNA-1985-40a-0709 
 Volume    40 
116Author    B. N. Cyvin, S. J. Cyvin, G. Diaz, Fleming, T. Mogstad, E. RytterRequires cookie*
 Title    Molecular Vibrations of Gallium Trichloride Monomer with Application of the Keating Bending  
 Abstract    The vibrational spectra and previous normal coordinate analyses of GaCl 3 are reviewed. The valence force field (VFF), Keating force field (KFF) and central force field (CFF) are investigated, taking into account isotopic frequency shifts and the mass influence on Coriolis constants. It seems that KFF is an appropriate force field approximation. In its definition a new type of internal coordinates, the Keating's bending, is invoked. A final force Field is tentatively determined and used to calculate the mean amplitudes of vibration. 
  Reference    Z. Naturforsch. 40a, 714—718 (1985); received May 10 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0714.pdf 
 Identifier    ZNA-1985-40a-0714 
 Volume    40 
117Author    Walter FabianRequires cookie*
 Title    Zur Interpretation des Substituenteneinflusses auf das UV-spektroskopische Verhalten von Chinolinderivaten  
 Abstract    eingeg. am 10. Mai 1985 On the interpretation of the influence of substituents on the UV spectra of quino lines The results of PPP calculations on the seven isomeric amino-as well as nitroquinolines (chosen as models for donator and acceptor substituted derivatives) are analyzed by means of configuration analysis. Based on these analyses the characteristic dependence of the UV spectra of these compounds on the position and nature of the substituent is interpreted and verified using a simplified molecules-in-molecule calculation. 
  Reference    Z. Naturforsch. 40a, 719—725 (1985) 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0719.pdf 
 Identifier    ZNA-1985-40a-0719 
 Volume    40 
118Author    G. J. Ashwell, S. C. WallworkRequires cookie*
 Title    Crystal Structure of IN,N'-di(n-propyl)^,4'-bipyridinium] 2+ (7,7,8,8-Tetracyano-p-quinodimethanide)J~  
 Abstract    The 4:1 complex salt formed between 7,7,8,8-tetracyano-p-quinodimethane (TCNQ) and the N,N'-di(n-propyl)-4,4'-bipyridinium dication (DPrBP) is monoclinic, space group P2 1 /c, with a=13.334(l), b = 25.954(3), c = 7.877(1) A, 0= 93.66(1)°. The structure was solved by the Patterson method and refined to R = 0.070 for 3277 unique reflections. The TCNQ moieties stack plane-to-plane, in stoichiometric groups of four, with a favourable exocyclic bond to quinonoid ring overlap of adjacent molecules and short interplanar spacings of 3.20 and 3.23 A between TCNQ (A)-TCNQ (A') and TCNQ (A)-TCNQ (B) respectively. TCNQ (A) makes the closet contact to the dication and the charge is partially localised on this molecule. 
  Reference    Z. Naturforsch. 40a, 726—730 (1985); received April 1 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0726.pdf 
 Identifier    ZNA-1985-40a-0726 
 Volume    40 
119Author    GeoffreyJ. Ashwell, GrahamH. Cross, IanM. Sandy, Witold Waclawek, Maria ZabkowskaRequires cookie*
 Title    Evidence of Back Charge Transfer in DMBP-TCNQ 3  
 Abstract    The single crystal conductivity of (N,N'-dimethyl-4,4'-bipyridinium) 2+ (7,7,8,8-tetracyano-p-quinodimethanide)|~, DMBP-TCNQ 3 , exhibits an anomaly at 170 K which may be attributed to a phase transition and, also, a change in activation energy at 135 K which may be attributed to the onset of extrinsic behaviour. Above 135 K the conductivity varies as a = a 0 exp(— EJkT) where CT 3 OOK. = 1 S cm -1 and £' a = 0.18eV. In the high temperature region the thermoelectric e.m.f. saturates to a temperature independent value of S = — 20|iVK _1 whereas for the related monoquaternised salt, [N-phenyl-4-(4'-pyridyl)-pyridinium] + (TCNQ) 2 , 0BP-TCNQ 2 , S = — 55 |iVK"'. The thermoelectric data may be interpreted in terms of the Chaikin and Beni model and the results indicate 92% charge transfer in DMBP-TCNQ 3 and 100% charge transfer in 0BP-TCNQ 2 . 
  Reference    Z. Naturforsch. 40a, 731—735 (1985); received April 3 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0731.pdf 
 Identifier    ZNA-1985-40a-0731 
 Volume    40 
120Author    SangH. Kim, Vladimir HlavacekRequires cookie*
 Title    Qualitative Properties of Autocatalytic Reactions Occurring in a Flow System  
 Abstract    The dynamic behavior of an autocatalytic reaction with a product inhibition term is studied in a flow system. A unique steady state exists in the continuous tank reactor. Linear stability analysis predicts either a stable node, a focus or an unstable saddle-focus. Sustained oscillations around the unstable focus can occur for high values of the Damköhler number (Da). In the distributed system, travelling, standing or complex oscillatory waves are detected. For a low value of Da, travelling waves with a pseudo-constant pattern are observed. With an intermediate value of Da, single or multiple standing waves are obtained. The temporal behavior indicates also the appearance of retriggering or echo waves. For a high value of Da, both single peak and complex multipeak oscillations are found. In the cell model, both regular oscillations near the inlet and chaotic behavior downstream are observed. In the dispersion model, higher Peclet numbers (Pe) eliminate the oscillations. The spatial profile shows a train of pulsating waves for the discrete model and a single pulsating or solitary wave for the continuous model. 
  Reference    Z. Naturforsch. 40a, 736—747 (1985); received March 29 1985 
  Published    1985 
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 TEI-XML for    default:Reihe_A/40/ZNA-1985-40a-0736.pdf 
 Identifier    ZNA-1985-40a-0736 
 Volume    40 
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