bluuebunny/crossref_metadata_2025_split huggingface dataset:
An ESR Investigation of Illuminated Polycrystalline TiO,
Authors: Dyrek Chr. , Schindler R. N. 
Published: February 2015

Abstract
Formation of paramagnetic centers in polycrystalline TiO2 samples and changes thereof upon heat treatment, addition of oxygen, and illumination, respectively, are described. From the tem­perature dependence of the disappearance of a photoprodueed Ti3+ signal with g= 1.96 an apparent activation energy of ~ kcal/mole is estimated for the electron annihilation processes.
Laufzeitmessungen in Fluoren-Einkristallen / Transit Time Measurements in Fluorene Single Crystals
Authors: Eckhardt H. 
Published: February 2015

Abstract
The hole drift mobility in single crystals of fluorene was determined by transit time measurements. At room temperature the mobility along the c-axis is (0,82 ± 0,14) cm2/Vs and in the abplane (0,72 ± 0,1) cm2/Vs. In the temperature ranges 200K<T<300K and 165K<T<300K μc and μab have been found to be ~T-1,5 and ~T-1,0, respectively. In both cases the mobility reaches a constant value for low temperatures (100 K). In the range 300 K<T<345 K μ decreases very strongly with increasing temperature {μ~T-5). Traps, especially deep and shallow surface traps, influence the pulse heighth and the pulse shape. From the change of the pulse shape with temperature a trap depth EH = 0,4 eV for shallow traps is determined.
Stark Effect Investigations in the 5d 6s (3D) 6p 2D3/2-State of Li I
Authors: Eckert H.-J. , Koch H. , Zimmermann P. 
Published: February 2015

Abstract
The Stark effect of the 5d 6s (3D) 6p 2D3/2-state of Lu I was investigated using the level crossing technique in combined magnetic and electric fields. From the broadening of the Hanle signal due to the shifts of the crossings in the electric field the Stark effect parameter |β| - 6(2) kHz/(kV/cm)2 was deduced. A theoretical study considering some of the mixing states is made.
The Partial Structure Factor of Sulphur in Liquid CS2 by Combining X -ray and Neutron Diffraction Results
Authors: Orton B. R. 
Published: February 2015

Abstract
The partial structure factor for sulphur in liquid CS2 at 20 °C has been computed by combining published x-ray and neutron diffraction results. Assuming that there are no correlations of molecular orientations, it is found that the main peak height of this sulphur-sulphur partial structure factor is smaller than that for carbon-carbon. This result is discussed in relation to the solid state structure and recent theoretical calculations.
Propagation and Absorption of Electromagnetic Waves in a Coaxial Plasma-Waveguide-System (m=1)
Authors: Kampmann B. 
Published: February 2015

Abstract
The dispersion relation of electromagnetic waves propagating in a coaxial plasma-waveguide-system is solved for a cold plasma. The influence of losses, discharge tube, and radial gradients of electron density are discussed in detail. Strong absorption is found near the dipole resonance of the plasma column.
Soret Coefficient of Liquified Simple Gases at Low Temperatures: the Kr-CH4 System
Authors: Longreé D. , Legros J. C. , Thomaes G. 
Published: February 2015

Abstract
The Soret coefficient for the krypton-methane system at 107.5 K has been measured. The results are compared with the thermodynamic theory of Prigogine, with a Rice Allnatt calculation, and with the Enskog theory for dense hard spheres gases.
Effects of Ion Motion on Hydrogen Stark Profiles
Authors: Seidel Joachim 
Published: February 2015

Abstract
The influence of ion motion on Stark broadened hydrogen lines is studied using the Method of Model Microfields which allows a uniform unified treatment of electrons and ions. Contrary to former theoretical investigations, strong effects are found in the line centres of L-α, H-α, and H-β which agree well with recent experimental findings, especially those of Wiese, Kelleher, and Helbig.
Nahordnung von Mg-Cd-Legierungen beim Übergang fest flüssig / Short Range Order of Mg-Cd-alloys during the Transition from the Solid to the Molten State
Authors: Boos A. , Steeb S. 
Published: February 2015

Abstract
Recently1 a method was published for the determination of short range order parameters in binary melts and also a method for the determination of the concentration of different structures which form such a melt.
These methods are used in the present work to evaluate the atomic structure of Mg-Cd-melts and to reveal the changes in short range order during the melting process.
Chlorine Compounds in the Stratosphere: HOCl, HOOCl, and ClOO
Authors: Warneck Peter 
Published: February 2015

Abstract
Possible reactions leading to the formation and the loss of HOCl and HOOCl in the stratosphere are explored. Since such reactions must be exothermic, the heats of formation of the title com­pounds are discussed first. Values adopted are ΔHf
0(HOCl) = -22 ±3, ΔHf
0(ClOO) = 20.5 ± 0.4, ΔHf
0(HOOCl) = -17 kcal/mol. Several important reactions are then identified. The most significant reactions apepar to be
HO2 + CIO → HOCl + O2

HOCl + hν → OH + Cl < 400nm
OH + ClO + M → HOOCl + M
HO2 + ClOO → OH + ClO.
From estimates of the associated rate coefficients and photodissociation factors the steady state concentrations of HOCl and HOOCl are derived. Both are sufficiently low to exclude a significant influence upon the steady state concentrations of CIO and Cl.
123Te and 125Te Fourier Transform NMR Investigations
Authors: Buckler K. U. , Kronenbitter J. , Lutz  , Nollle A. 
Published: February 2015

Abstract
The NMR signals of 123Te and 125Te have been observed in solutions of K2TeO3 and Na2TeO3 in D2O. In these solutions the ratios of Larmor frequencies ν(125Te)/ν(123Te), ν(125Te)/v(2H) and ν(125Te)/ν(23Na) have been determined with high accuracy. With the measured chemical shifts of 2H, 23Na, 125Te relative to infinitely diluted solutions the ratios of the Larmor frequencies are extrapolated and values of the magnetic moments are given. The relaxation times T1 and T2 are very different for 125Te in TeO3
2-: a ratio T1/T2 of 8.2 ± 0.4 has been found. No nuclear Overhauser effect due to dipole-dipole interaction of 125Te with the water protons has been detected.
Notizen: Monte-Carlo Simulation of a Two-dimensional Dipolar Lattice
Authors: Romano S. 
Published: February 2015

Abstract
Monte-Carlo calculations were carried out on a system consisting of 256 point-dipoles, whose centres are fixed in a two-dimensional square lattice with the usual boundary con­dition; the Epstein-Ewald-Kornfeld algorithm was used in evaluating the electrostatic energy. No evidence of a first-order phase transition was found, and the results suggest there might be a second-order one. Additional calculations were carrierd out using the mean-field theory, which was found to overestimate the transition temperature by about a factor two.
Self-Diffusion of Tl+ in Molten Thalium Nitrate
Authors: Zuca S. , Constantinescu M. 
Published: February 2015

Abstract
The self-diffusion coefficient of Tl+ in molten TlNO3 in a temperature range of about 100° above the melting point was measured by the "diffusion-into-the capillary" method. The obtained results are discussed in terms of ionic interactions occuring in TlNO3 melt.
Angular Forces and Normal Vibrations in Platinum
Authors: Kharoo H. L. , Gupta O. P. , Hemkar M. P. 
Published: February 2015

Abstract
A lattice dynamical study of platinum has been made on the basis of the improved Clark-Gazis-Wallis model considering volume forces of Krebs' nature. The phonon dispersion relations obtained for the three symmetry directions have been compared with the recent inelastic neutron scattering experiments. The specific heat at constant volume has been calculated by Blackman's root sampling technique for temperatures above Θ/10, and below this temperature the calculations are carried out by employing the modified Houston spherical six-term integration procedure. The computed lattice specific heats in terms of the effective Debye temperatures Θ are compared with the available calorimetric data. The theory is in good agreement with the experimental data.
The Structure of Molten Nickel-Phosphorus Alloys
Authors: Waseda Yoshio , Toguri J. M. 
Published: February 2015

Abstract
Detailed analyses of the x-ray scattering intensities of molten nickel-phosphorus alloys ranging from 0 to 30 at.% phosphorus have been carried out. The three partial structures required to characterize the binary alloys have been estimated. The interatomic distance of P -P pairs was found to be about 3.2 Å, and thus phosphorus atoms cannot exist as nearest neighbours in molten Ni-P alloys, at least within the present experimental composition range. It was confirmed that this arrangement of atoms contributed to the characterisic structure in which the expansion of the Ni -Ni distance was unavoidable. Calculations have also been carried out in terms of the dense random-packing model of binary spheres. The calculations were consistent with the experimental results.
Zur Berechnung der chemischen Verschiebung unter besonderer Berücksichtigung des paramagnetischen Terms / Attempts to the Calculation of the Chemical Shift with Especial Consideration of the Paramagnetic Term
Authors: Sterk H. , Suschnigg J. J. 
Published: February 2015

Abstract
Attempts to the Calculation of the Chemical Shift with Especial Consideration of the Paramagnetic Term The calculation of the paramagnetic term according to the Pople formalism of the chemical shift is expanded. The hitherto constant value of the energy gap between the ground state and the excited states is replaced by the value of the lowest lying excitation. This leads to a remarkably better differentiation of the paramagnetic terms of different compounds. The influence is shown on ethane, ethene and ethine.
Zur Anwendbarkeit der Mindo/3-Methode auf die Untersuchung von Grundzustandsreaktionen / Ort the Applicability of the Mindo/3-Method for the Study of Groundstatereactions
Authors: Fleischhauer Jörg 
Published: February 2015

Abstract
An ab inito calculation of the H2-binding-energy is com­ pared with the results of the Mindo/31-Theory with and without configuration interaction to study the applicability of this semiempirical Method for the description of bond-breakening.
Monte Carlo Calculations on Molten Silver Bromide
Authors: Margheritis Chiara , Sinistri Cesare 
Published: February 2015

Using crystal data in the range 20-300 °C, the AgBr interionic pair potentials were calculated. By means of these potentials the melt was computer simulated with the Monte Carlo method at three different temperatures (694, 1000 and 1778 K). The system thus obtained is relaxed and it behaves as if an important cohesive force, like the homopolar one, would be lacking.
It was empirically proved that if the interionic repulsive potentials are reduced by about 40% the experimental values of the density and of the internal energy are reproduced.
Determination of Ionic Mobilities of Uranium in n-Propanol and n-Butanol at 25 °C
Authors: Marx G. , Nitsche H. 
Published: February 2015

In the system UO2(NO3)2 · 6H2O/n-Propanol the limiting ionic conductance of (1/2UO2
2+) was found to be 12.31 cm2 Ω-1 mol-1 at 25 °C, its association constant being 3.6 · 109 l2 mol-2 . The corresponding values in the system UO2(NO3)2 · 2H2O/n-Butanol are:
λ°=23.57 cm2 Ω-1 mol-1 and KA = 1.5 · 1011 l2 mol-2.
Absorption and Fluorescence Spectra of some 1,3,4-Oxadiazole Derivatives in n-Paraffins at 77 K
Authors: Bałuk P. , Kawski A. 
Published: February 2015

Abstract
The quasilinear absorption and fluorescence spectra of 2- (1-naphthyl) -5-phenyl 1,3,4 oxadiazole, 2-(2-naphthyl)-5- phenyl 1,3,4 oxadiazole, 2-(1-naphthyl) -5-(4-biphenylyl) - 1,3,4 oxadiazole and 2-(2-naphthyl)-5-(4-biphenylyl)-1,3,4 oxadiazole have been studied in n-hexane, decane and nonane at 77 K. An analysis of the vibrational structure in the first electronic excited singlet state (S1) and in the ground state (S0) is given. Internal oscillations in the investigated molecules found from the quasilinear spectra are in agreement with those found in the infrared spectra.
Boundary-Value Problem for Electromagnetic Fields in Cylindrical Conductor with Circumferential Electrodes Excited by AC-Current
Authors: Wilhelm H. E. , Hong S. H. , Boonzaier D. A. 
Published: February 2015

Abstract
The bounardy-value problem for the electromagnetic fields E(r, t) = {Er (r, z, t),0, Ez (r, z, t)} and B(r, t) = {0, Bθ(r, z, t),0} in an electrically conducting cylinder of radius r = a and infinite length (-∞≦z≦+∞) is treated, which are excited by a periodic ac-current I(t) = I0 cosωt entering and leaving the cylinder through circumferential electrodes at r = a and z = ± c. Solutions for E(r, t ) and B(r, t) are obtained in terms of Fourier integrals which are reduced to infinite series by means of the residue theorem. Graphical presentations of the fields E(r, z, t) and B(r, z, t) versus z and r for times ωt = 0 and π/2 are given which show the relative amplitude and phase relations of the fields. An application of the results to medical physics is discussed concerning the measurement of the electrical conductivity of the tissue of limbs.
Pulse Radiolysis of Tetraphenylcyclobutane in Hexamethylphosphoric Triamide Solution
Authors: Takamuku S. , Dinh-Ngoc B. , Schnabel W. 
Published: February 2015

r-1, c-2, t-3, t-4-tetraphenvlcyclobutane (TPCB) was irradiated in dilute solutions of hexamethylphosphoric triamide (HMPT) with 20 ns pulses of 16 MeV electrons. Solvated electrons (e-
solv) produced during the radiolysis of HMPT react with TPCB with k = (6 ± 1) · 109 l/mol s. Simultaneously with the decay of the optical absorption of the solvated electrons, the formation of the absorption of t-stilbene (at 300 nm) and that of stilbene radical anions (at 500 nm) was observed.
Thus, it is concluded th at TPCB is undergoing a dissociative electron attachment process e-
solv + TPCB→t-St + t-St·̄̅.
The lifetime of a possible intermediate (TPCB·̄̅) was estimated as being smaller than 10-9 s. The 100 eV yield of t-stilbene was determined as G(t-St) = 3.4.
New Aspects on Melting and Annealing Behaviour of Polymers
Authors: Haase J. , Köhler S. , Hosemann R. 
Published: February 2015

Abstract
Poly( 1-butene) (PB) crystallizes from the melt in a metastable modification II (mod. II) which slowly transforms into the stable modification I (mod. I). X-ray wide angle (WAXS) measurements show that in mod. I the size of the microparacrystallites (mPC’s) in chain direction, D̅012, the polydispersity gD of the size distribution in this direction, the lateral size D̅110 and the paracrystalline g110-value do not change upon annealing at temperatures up to the melting point. In mod. II, however, the sizes D̅012 and D̅110 increase with rising annealing temperature Tann. At a certain Tann and beyond a sufficient annealing time tann the size D̅012 shows a logarithmic increase with tann whereas D̅110 stays constant. Measuring melting points Tm of mod. I-samples, we found a linear relationship between Tm and 1/D̅012 according to the Thomson equation resulting in a melting point for an infinite crystal of Tm
∞ (mod. I) = 139 °C and a mean surface free energy of σ̅e′̅ (mod. I) = 47 ergs/cm2. T m versus 1/D̅012 for mod. II is linear only for high D̅012-values yielding Tm∞ (mod. II) = 130 °C and σ̅e′̅ (mod. II) = 29 ergs/cm2. However, a partially molten and afterwards quenched sample of mod. I with small mPC’s shows a mod. II-peak which fits the straight line extrapolated from the large D̅012-values. The DTA curves of mod. I-samples shift to higher temperatures and narrow after annealing although the crystallite sizes and size distributions remain as well as the paracrystalline distortions the same. X-ray and DTA measurements eliminate therefore surface premelting and selective melting of thinner and more distorted lamellae in mod. I. Upon annealing this modification, σ̅e′̅ decreases from 47 ergs/cm2 to 15 ergs/cm2 and the distribution of σe′ narrows. The latter determines predominantly the shape of the DTA curve. The Thomson equation therefore, applied to different samples links only the average crystallite size and the mean surface free energy with the melting point. In mod. I partial melting occurs independent of D̅012 and starts mainly at those mPC’s which have exposed surfaces with high σe′. At the beginning only single mPC’s or single lamellae melt, but no bundles of lamellae. The logarithmic increase of D̅012 in mod. II with tann can be explained according to Hosemann’s model of “lateral melting” also by a partial melting of mPC’s with unprotected lateral surfaces and by a consecutive solid state diffusion of their chainsegments into the two mPC’s adjacent in chain direction, increasing the averaged sizes of the long period and the lamellae thickness.
Microwave Transient Phenomena of Symmetric Top Molecules. An Extended Bloch Type Description
Authors: Mäder H. , Bomsdorf H. 
Published: February 2015

Abstract
The Bloch equations for the macroscopic polarization components Pr and Pi and the population difference ⊿N of a two-level system are derived with inclusion of diagonal elements of the electric dipole moment operator. The influence of such elements on the solutions is discussed. The effect of Stark-switching technique on the observed transient emission signal is considered.
Dissection of 13C/12C Isotope Effects on the Cyanoacetylene Partition Function
Authors: Bopp P. , Heinzinger K. , Wolfsberg M. 
Published: February 2015

Abstract

13C/12C reduced isotopic partition function ratios for the three singly 13C substituted cyanoacetylenes are calculated and are used to evaluate the thermodynamic equilibrium constants among these species. A perturbation theory method is employed to dissect both the partition function ratios and also the equilibrium constants in order to gain a better understanding of isotope effects.
Some Properties of a Quartic Potential with a Finite Binding Energy
Authors: Kesarwani R. N. , Varshni Y. P. 
Published: February 2015

Abstract
A potential energy function is proposed which exhibits a quartic dependence on (r - re), where re is the equilibrium interparticle distance, in the neighbourhood of re, and has a finite binding energy. To study the pattern of the eigenvalues, the WKBJ method is applied to the third order, and the relevant integrals are evaluated analytically. Results are shown graphically for a few sets of parameters. The number of vibrational states that the potential can support is determined for a range of values of the parameters. Some suggestions as to the possible applications of the proposed potential are also made.
Konsequenzen einer abbildungstheoretischen Deutung von Hückel-Parametern für die Diskussion von Charge-Transfer-Effekten in Dreizentrensystemen / Interpretation of Hüchel-Parameters by Means of a Mapping Concept: Consequences in the Discussion of Charge Transfer Effects in Three Centre Systems
Authors: Brüggemann R. , Voitländer J. 
Published: February 2015

Abstract
The charge-transfer effects of systems of the general type A-B-B are investigated, A being the donor. The importance of a one-to-one correspondence between Hückel-parameters and parameters such as effective nuclear charges and bond distances is pointed out. By using charge-transfer effects as an example it is shown that non-uniqueness leads to difficulties in interpreting charge-transfer effects.
Die Schwingungsstruktur der Shpolskii-Spektren von Anthracen, 9-Methyl-und 9,10-Dimethylanthracen in n-Hexan bei 77 K. I. Fluoreszenz / The Vibronic Structure of Shpolskii Spectra of Anthracene, 9-Methyl- and 9,10-Dimethylanthracene in n-Hexane at 77 K I. Fluorescene
Authors: Jung Ch. , Kawski A. , Żukowska M. I. 
Published: February 2015

Abstract
The fluorescence spectra of anthracene, 9-methyl- and 9,10-dimethylanthracene in n-hexane at 77 K were measured. The Franck-Condon-Factors are evaluated using equilibrium geometries, vibrational frequencies and normal coordinates of the molecules in the ground and first excited singlet state which were calculated by the QCFF/PI-method. These results are then compared with experimentally determined frequencies and estimated intensities. The new vibronic lines in the fluorescence spectra of the methylated anthracenes correspond to totally symmetric vibrations, up to 1000 cm-1 originated mostly by mixing with out-of-plane vibrations of the atoms of the anthracene skeleton. Above 1000 cm-1 these vibrations which have greater projections of their normal coordinates on the internal coordinates of the methyl groups, are not visible as vibronic lines in the fluorescence spectra. The multiplet structures of the O-O-transitions are ascertained.
Theoretical Study of Linear NiCO and CuCO and its Implication to Adsorption
Authors: Itoh Hiroyuki , Kunz A. Barry 
Published: February 2015

Abstract
Ab initio RHF-MO calculations are made for the linear NiCO and CuCO clusters. The ground states of them involve Ni 3d94s1 and Cu 3d104s1 electron configurations, respectively. The orbital energies of the CO 1 π-like levels in both clusters are closely similar to each other. The CO 5σ-like level shifts toward the CO 17r-like level due to the bonding interaction of the 5σ with the metal 4s and 3dZ
2. The results are discussed in relation to the difference of the 3d-level positions and the similarity of 4s levels of Ni and Cu. For NiCO both the 4s and 3d orbitals contribute to the metal-CO binding while for CuCO only the 4 s orbital contributes to it. The present results are in agreement with the UPS experiments on adsorption.
Crystalline Oxide Solid Solutions in Oxygen Potential Gradients
Authors: Schmalzried H. , Laqua W. , Lin P. L. 
Published: February 2015

Abstract
The steady state demixing of an initially homogeneous oxide solid solution (A, B)O in an oxygen potential field is studied theoretically and experimentally.
In case that DA > DB ≫ D0, the crystal is shifted with respect to the oxide lattice system toward the higher oxygen potential and is enriched in A at the side of the higher oxygen potential, while the transport of oxygen in the crystal is negligible. A numerical solution of the transport problem is presented, and the predicted effect is verified experimentally
Evidence for Polymorphism within the So-called “Blue Phase” of Cholesteric Esters. III. The Circular Dichroism of the Blue Phase at High Pressures
Authors: Pollmann P. , Scherer G. 
Published: February 2015

Abstract
The pressure dependence of the circular dichroism (CD) of a blue phase could be observed for the first time. Corresponding to measurements at normal pressure two phases (BP I, BP II) can be distinguished under high pressures too. Contrary to measurements at normal pressure it was possible to observe the CD of BP II as a function of a variable of state within the very narrow region of this phase
Experimental Stark Profile Determination of Some Plasma Broadened He I-and He II-Lines
Authors: Soltwisch H. , Kusch H. J. 
Published: February 2015

Abstract
Line profiles of the plasma broadened lines He I: 3188, 3889, and 5016 Å and He II: 3203, 4686 Å have been determined from measurements using a wall-stabilized quasistationary pulsed discharge as a plasma source of sufficient homogeneity. The profiles were recorded applying the rapid-scan technique to enable single-shot registration of the spectral data. Electron density values were obtained from plasma-refractivity measurements at two different wavelengths using rare gas ion-lasers as background light-sources. The electron density range in this experiment was (0.7 -1.2) · 1017 cm−3. Temperature values of pure helium plasmas resulted from absolute radiation measurements (line intensities of He II 3203 Å and 4686 Å), yielding ~ 4 · 104 K. In helium-hydrogen mixtures further used for plasma generation in the lower temperature region, temperature values could be estimated from the optically thick Balmer line Hα, yielding ~ 2 · 104 K.
Experimental line shapes and half-widths are compared with the theoretical predictions of several authors and with the results of previous measurements. In case of neutral helium lines experimental and theoretical values agree within experimental accuracy (10%), whereas for the He II-lines the measured line shapes deviate considerably from the theoretical predictions.