bluuebunny/crossref_metadata_2025_split huggingface dataset:
Wiener Number of Polyphenyls and Phenylenes
Authors: Gutman Ivan , Dömötör Gyula 
Published: February 2015

Abstract
It is shown that the values which the Wiener numbers of isomeric polyphenyls may assume are all congruent modulo 36. Similarly, the Wiener numbers of isomeric phenylens are always congruent modulo 18. These findings provide a rationalization for the known fact that the isomer-discriminating power of the Wiener number is rather weak. Extensions of the present results to more general classes of graphs are also pointed out.
Calculating the Determinant of the Adjacency Matrix and Counting Kekulé Structures in Circulenes
Authors: Gutman I. , Yeh Y.-N. , Lee S.-L. , Hosoya H. , Cyvin S. J. 
Published: February 2015

Abstract
The determinant of the adjacentcy matrix, the algebraic structure count and the Kekulé structure count of circulenes are shown to conform to simple expressions containing Fibonacci numbers.
Size-dependent Trends in the Scattering of Small Potassium Clusters by Water Molecules
Authors: Goldbach A. , Hensel F. , Rademann K. 
Published: February 2015

Abstract
Scattering o f small potassium clusters by water molecules has been studied in a molecular beam experiment for the first time. In the size range up to eight atom s, trends for cross sections have been obtained by investigating low energy collisions. Significant differences in relative cross sections can be assigned to inelastic collisions. As in case o f scattering o f sodium clusters by argon (Goerke, A. et al., J. Chem. Phys. 98, 9653 (1993)), rotational excitation of the clusters seems to be the dominating interaction.
Effective Gauge Theories with Symmetry Breaking
Authors: Grimm G. 
Published: February 2015

Abstract
In a previous paper a general group theoretical discussion of effective boson-fermion coupling theories (with com posite two-fermion bosons) resulting by weak mapping of nonlinear spinor-isospinor field models was given. In the present work these considerations are extended to the case of broken isospin symmetry and applied to a microscopic subfermion-description of phenomenolog­ical gauge theories with Higgs symmetry breaking.
Molecular Dynamics in the System Methanol-Dimethylsulphoxide
Authors: Ludwig R. , Zeidler M. D. , Farrar T. C. 
Published: February 2015

Abstract
NMR proton relaxation rates of normal and oxygen-17 enriched m ethanol-d3 in a mixture of 71 mol% methanol and 29 mol% dimethylsulphoxide-d6 (DMSO) were measured as a function of temperature between 298 and 158 K. From these data rotational correlation times of the methanol molecule in the mixture and the oxygen-proton dipolar spin-lattice coupling parameter were ob­tained. The latter parameter is considerably smaller than the one obtained from neutron diffraction studies of the molecular geometry of methanol. Additionally, deuteron and oxygen-17 relaxation rates were measured over the same temperature range. Using the rotational correlation times obtained from the oxygen-17 induced proton relaxation rates, the quadrupole coupling constant for deuterium was derived; it shows a temperature dependence. Application of the Poplett relation yielded the oxygen-17 quadrupole coupling constants, so that oxygen correlation times could be obtained. Comparison of deuteron and oxygen correlation times indicates that the reorientation of the methanol molecule in the methanol/DMSO mixture is anisotropic.
Phase Diagram,35Cl NQR,and Crystal Structure of 1-Chloro-2-methyl-2-chloromethylpropionic Acid(/β, β´-Dichloropivalic Acid),Phase II
Authors: Strauß Roman , Dou Shi-qi , Fuess Hartmut , Weiss Alarich 
Published: February 2015

Abstract
The phase diagram and the 35Cl NQR spectrum of (ClH2C)2(CH3)C -COOH have been studied in the temperature range 77 ≤ T/K ≤ melting point (343.8 K). On heating no phase transition appears. The cooling cycle shows strong undercooling of the melt, a phase transition at Tm → I = 319.9 K and a transition from the orientationally disordered phase I to the ordered phase II at TI → II = 297.2 K.
The 35Cl NQR spectrum is a doublet with negative temperature coefficients within the temperature range covered, showing no phase transition in the heating cycle. At 77 K (298 K) the frequencies are in MHz: γ1 = 34.830 (34.140); γ2 = 34.018 (33.258).
The ordered solid crystallizes in the space group Pbca, Z = 8, a = 1019.7 (3) pm, b = 1146.3 (3) pm, c = 1293.8 (3) pm. Phase I (plastic phase) is cubic face centered, a = 911 pm, Z = 4.
Application of a Miniaturised Probe for the Acquisition of Dielectric Data in Living Systems
Authors: Kohlsmann Stephan , Hetscher Matthias , Kramer Klaus 
Published: February 2015

Abstract
The complex permittivity ε* has been measured non-invasively in the cornea of two types of animal eyes and in erythrocyte suspensions in the frequency domain 1 ... 18,000 MHz. These measurements shall help to distinguish between eye diseases in a very early stage and to track the possible effect of “microthermics”, respectively. The analysis of the miniaturised probe used for the reflection method and the experimental set-up with its automatic scanning facility are presened.
The Rotational Spectrum of Tunnelling Methyl Groups
Authors: Clough S. 
Published: February 2015

Abstract
The quantum-classical transition of methyl rotation highlights conflicting assumptions of quan­tum and classical mechanics, the first assuming that identical fermions are indistinguishable while the second recognises they are distinguishable through their histories. When this is introduced into quantum mechanics, the two are compatible and there is a smooth transition of the methyl rotational spectrum with increasing temperature through the merger of three broadening peaks. The changing character of methyl dynamics through this transition is discussed.
Linear Scaling Laws in Bifurcations of Scalar Maps
Authors: Grebogi Celso 
Published: February 2015

Abstract
A global scaling property for bifurcation diagrams of periodic orbits of smooth scalar maps with both one and two dimensional parameter spaces is examined. It is argued that for both parameter spaces bifurcations within a periodic window of a given scalar map are well approximated by a linear transformation of the bifurcation diagram of a canonical map.
Mass Selected ZEKE-Spectra of FeC2-Anions: A Spectroscopic Access to Intermediates in Catalytic Reactions of Hydrocarbons on Metal Surfaces
Authors: Drechsler G. , Bäßmann C. , Boesl U. , Schlag E. W. 
Published: February 2015

Abstract
Zero-kinetic-energy (ZEKE) photoelectron spectra of metalcarbide anions are presented, allowing a high resolu­tion spectroscopic access to intermediates in catalytic reac­tions of hydrocarbons on metal surfaces. As a first compound, FeC2 (an intermediate of the iron/acetylene system) has been chosen. Important for successful ZEKE spectroscopy was a special anion source and the selection by time-of-flight mass spectrometry. In addition, conventional laser induced photo­ detachment photoelectron spectroscopy in combination with our anion source and mass analyzer delivered valuable new information.
The rQ2-branch of HOOH at 1.05 THz
Authors: Krupnov A. F. , Belov S. P. , Winnewisser G. , Behrend J. , Liedtke M. , Schieder R. , Yamada K. M. T. , Herbst E. 
Published: February 2015

Abstract
The lower frequency rQ2-branch o f the torsional split rotational spectrum of HOOH has been recorded for the first time near 1.05 THz with Doppler limited resolution employing a Backward Wave Oscillator as the radiation source. The position of the Q-branch lines can be predicted very closely from a set of effective rotational constants derived individually for the two torsionally split levels. The symmetry of the molecule, and the height of the potential barrier against internal rotation, are the two main reasons for the clear separation between the rotational and torsional contributions to the spectrum of HOOH as well as the analogous molecule HSSH.
Light Propagation in a Curved-Space Friedmann Universe
Authors: Prokhovnik S. J. , Paparodopoulos A. E. 
Published: February 2015

Abstract
It was shown [1] that, in a Friedmann universe considered as an expanding ensemble of fundamental particles and whose 3-space is Euclidean, the propagation of light and its associated wavelength(s) partake in the expansion of the universe. In consequence, a light-signal emitted from any source will reach and pass every fundamental particle in its path at the same speed, c, despite the systematic mutual recession of any pair of such particles. This result, derived from the Robertson-Walker metric, is in full accord with all local physical experience of light transmission and with the requirements o f Einstein's Special Theory of Relativity. It is shown here that the same result also applies to any curved-space Friedmann universe.
Dilatometric Study of the Isotropic-Smectic F Transition of 10O.14
Authors: Rao N. V. S. , Padmaja Rani G. , Potukuchi D. M. , Pisipati V. G. K. M. 
Published: February 2015

Abstract
The compound N(p-n-decyloxy benzylidene)p-n-tetradecyl aniline, (10O.14), a higher hom ologue of the MBBA series, exhibits smectic F and smectic G phases. Dilatometric studies inferred strong pre-transitional effects in a large temperature range. DSC results confirmed the first order nature of the IF and FG transitions. The exponential growth of continuous six fold hexagonal order across the isotropic-smectic F phase transition is estimated from the density studies with an exponent b = 0.75.
Chaos Control and Neural Classification
Authors: Hoff Axel A. 
Published: February 2015

Abstract
Chaotic behaviour in biological neural networks is known from various experiments. The recent finding that it is possible to "control" chaotic systems may help answer the question whether chaos plays an active role in neutral information processing. It is demonstrated that a method for chaos control which was proposed by Pyragas can be used to let a chaotic system act like an autoassociative memory for time signal inputs. Specifically a combined chaotic and chaos control system can reconstruct unstable periodic orbits from incomplete information. The potential relevance of these findings for neural information processing is pointed out.
Radiation Induced Incorporation of CO in Pure and Aqueous Methanol
Authors: Jung Hak-Jin , Getoff Nikola , Lorbeer Eberhard 
Published: February 2015

Abstract
Pure and aqueous methanol were used for radiation induced incorporation of CO at elevated pressure (up to 15 bar). The initial yields (Gi) of the main products in pure methanol under 15 bar CO and 1 bar N2O were found to be: Gi(formaldehyde) = 3.80 and Gi(glycolic aldehyde) = 2.0. For aqueous (10-2 mol · dm-3) methanol under 15 bar CO (dose: 0.557 kGy, pH = 2): the yields were G(formaldehyde) = 5.44, G(glycolic aldehyde) = 4.0 and G(oxalic acid) = 7.7. At pH = 7 the yields were essentially lower, namely: G(formaldehyde) = 3.2, G(glycolic aldehyde) = 2.0, G(formate) = 3.8 and G(oxalate) = 5.0. Probable reaction-mechanisms for the product formation are discussed.
Notizen: New Concept of a Scanning Laser Microscope Integrated Inside an Encapsulated Cryogenic Sample Stage
Authors: Kittel A. , Willmann A. , Wener H.-G. , Richter R. , Huebener R. P. , Parisi J. 
Published: February 2015

Abstract
We introduce a compact scanning laser microscope that is applicable for direct visualization of dissipative electric structures in solid state systems. In order to overcome the disturbing influence of any background radiation, the shielded sample cryostage incorporates the complete microscope consisting of a laser diode, the deflection unit, and the focussing optics. Our imaging method provides access to a class of nonlinear transport phenomena that so far have eluded unperturbed observation.
Die Lösung der Schrödinger-Gleichung als eindimensionales Problem. I. Der Formalismus
Authors: Preuß H. 
Published: February 2015

Abstract
In this article a new method for solving the multi-dimensional Schrödinger-equation for electrons and nuclei will be discussed. It is shown by application of integral transformations and by use of space-filling curves how the multi-dimensional Schrödinger-equation can be replaced by an one­ dimensional integral equation. Furthermore the problems of accuracy arising due to the use of this approximative treatment are pointed out. The presented method can be stated without the Born-Oppenheimer approximation and the application of determinants for fitting the wave function is discussed in a new one-dimensional point of view.
The Three-Center, χ-Electron Chemical Bond
Authors: Giambiagi Myriam S. de , Giambiagi Mario , Herrera Jorge 
Published: February 2015

Abstract
A definition is proposed for the number of χ electrons x involved in a three-center bond, based upon the corresponding two-center bond indices. The number of electrons is fractionary, ranging from about 1 to somewhat more than 4 in the systems considered here. It is seen that the sign of the three-center index does not depend on χ.
Investigation of the Structure of Amorphous Substances by Means of Electron Diffraction
Authors: Ankele Jürgen , Mayer Joachim , Lamparter Peter , Lamparter Peter , Steeb Siegfried 
Published: February 2015

Abstract
The structure factor of amorphous germanium was determined using 120 kV electrons, an Ω-filter for the elimination of inelastically scattered electrons and a correction procedure for multiple scattering. The structure factor thus obtained is in good accordance to that obtained with X-rays and neutrons, respectively.
Chloride Ion in Liquid Hydroxylamine: Pair Potential Function and Monte Carlo Simulation
Authors: Sompornpisut Pornthep , Kokpol Sirirat , Rode Bernd M. 
Published: February 2015

Abstract
An analytical pair potential function for the Cl--NH2OH interaction energy surface has been constructed based on basis set superposition error corrected ECP/DZP ab initio calculations. The potential has been tested by Monte Carlo simulation of a solution of one chloride ion in liquid hydroxylamine at 32 °C, leading to the conclusion that under these conditions Cl-forms a solvation shell of eight solvent molecules, coordinated via OH hydrogens.
Estimation of the Chemical Potential and the Activity of NaCl in Molten DyCl3-NaCl by Molecular Dynamics Simulation
Authors: Sakurai Masanori , Takagi Ryuzo , Adyaa Ashok K. , Gaune-Escard Marcelle 
Published: February 2015

Abstract
Molecular dynamics simulations of molten DyCl3-NaCl were carried out at liquidus temperatures of the phase diagram. The chemical potential and the activity of NaCl was successfully estimated with the method proposed by Powles et al., which requires only positional data of the ions at the temperatures in question.
Conjectured Breaking of the Superluminal Quantum Correlations By Turbulent Fluctuations of the Zero Point Vacuum Field
Authors: Winterberg F. 
Published: February 2015

Abstract
If the observed superluminal quantum correlations are disturbed by turbulent fluctuations of the ze-ro point vacuum energy field, with the turbulent energy spectrum assumed to obey the universal Kol-mogoroff law, a length is derived above which the correlations are conjectured to break. A directional dependence of this length would establish a preferred reference system at rest with the zero point ener-gy. Assuming that the degree of turbulence is given by the small anisotropy of the cosmic microwave background radiation, a length of ~60 km is derived above which the correlations would break.
Novel Morphology of Voids in Single-Quasicrystalline Icosahedral Al70.5Pd21.0Mn8.5
Authors: Waseda Y. , Suzuki S. , Urbanb K. 
Published: February 2015

Abstract
This paper deals with the morphology and surface chemistry of faceted voids existing in singlequasicrystalline icosahedral Al70.5Pd21.0Mn8.5. By observation with a scanning electron microscope of surfaces obtained by cleavage of the quasicrystal, the habit planes of the dodecahedral voids were identified. The chemical surface composition of the void surface was determined by Auger electron spectroscopy after cleavage in ultra-high vacuum.
Experimental Determination of Dipole Moments of Some Benzamide Derivatives
Authors: Heidt J. , Heidt J. R. , Raciniewskab M. 
Published: February 2015

Abstract
The excited state dipole moments of some benzamide derivatives are determined. The method of solvent induced shifts of electronic absorption bands in comparison with their positions in the gas phase is used. Some regular trends revealed in the obtained data are discussed. The present results are compared with those available in the literature.
High resolution spectroscopy of Ar-CH4 and Kr-CH4 in the 7 μ region (j = 1 ← 0 transition)
Authors: Paka I. , Roth D. A. , Heppa M. , Winnewisser G. , Scouterisc D. , Howard B. J. , Yamadad K. M. T. 
Published: February 2015

Abstract
Diode laser spectra of the rare gas - spherical top van der Waals complexes Ar-CH4 and Kr-CH4 were measured in the wavelength region near 1310 cm-1 and assigned. The most prominent lines of both complexes exhibit three dense but well resolved RP0, QR0, and RQ0 branches, correlated to the R(0) transition of the triply degenerate bending vibration v4 of methane, CH4. A model Hamiltonian based on Coriolis coupled states was applied for the assignment, analysis and fitting of the spectra to within the experimental accuracy of ≈ 15 MHz. The rotational B constants of the upper and lower states determined from the three allowed branches appeared to be strongly correlated. The precision in the determination of the rotational B constants of the two complexes was substantially increased by additional recording of several weak transitions in the nearly forbidden QP0 and RR0 branches, which were fitted together with the allowed transitions. The separation between the rare gas atom and the methane molecule in the ground vibrational state was determined to be 3.999 Å and 4.094 Å for Ar-CH4 and Kr-CH4, respectively. The measured small values of the splitting between the K=0 and the K = ±1 levels in the vibrationally excited state (0.39 cm-1 and 0.67 cm-1 for Ar-CH4 and Kr-CH4, respectively), which characterizes the anisotropy of the intermolecular potential, indicated that Kr-CH4 and Ar-CH4 together with Ne-SiH4 represent examples close to the free rotor limit, where the spherical top CH4 is almost free to rotate within the complex. In comparison, the previously analyzed Ar-SiH4 van der Waals molecule is closer to the hindered rotor limit.
NMR Study of Molecular Dynamics in a D ho Columnar Mesophase
Authors: Cruz C. , Sebastião P. J. , Figueirinhas J. , Ribeiro A. C. , Nguyen H. T. , Destrade C. , Noack F. 
Published: February 2015

Abstract
In this paper we report the first molecular dynamics study combining fast field-cycling and conven-tional NMR techniques in a thermotropic liquid crystal of discotic molecules exhibiting an ordered columnar hexagonal mesophase. Using the association of these techniques we obtained proton T1 data over a very large domain of Larmor frequencies (ω/2π from 500 Hz to 85 MHz). The proton spin-lattice relaxation results were analysed considering the structure of the mesophase and the types of movements which are expected to influence significantly the relaxation rate, namely local molecu-lar rotational reorientations, inter-columnar self-diffusion and collective movements corresponding to bending and compression of the columns. We verified that these mechanisms dominate the relaxation respectively for high, medium and low Larmor frequencies.
Propagating Thermonuclear Burn by Laser Ignition of a Dense Z-Pinch
Authors: Winterberg F. 
Published: February 2015

Abstract
A linear pinch discharge above the Pease-Braginskii current and stabilized by axial shear flow can radiatively collapse to high densities. A thermonuclear detonation wave can then be launched from one end of the discharge channel by ignition with a powerful laser pulse. Axial shear flow stabilization may be realized by injecting a fast moving jet along the pinch discharge channel, possibly in combination with a frozen DT fiber positioned on the pinch axis.
Effect of Finite Larmor Radius on the Rayleigh-Taylor Instability of Two Component Magnetized Rotating Plasma
Authors: Sharma P. K. , Chhajlani R. K. 
Published: February 2015

Abstract
The Rayleigh-Taylor (R-T) instability of two superposed plasmas, consisting of interacting ions and neutrals, in a horizontal magnetic field is investigated. The usual magnetohydrodynamic equations, including the permeability of the medium, are modified for finite Larmor radius (FLR) corrections. From the relevant linearized perturbation equations, using normal mode analysis, the dispersion relation for the two superposed fluids of different densities is derived. This relation shows that the growth rate unstability is reduced due to FLR corrections, rotation and the presence of neutrals. The horizontal magnetic field plays no role in the R-T instability. The R-T instability is discussed for various simplified configurations. It remains unaffected by the permeability of the porous medium, presence of neutral particles and rotation. The effect of different factors on the growth rate of R-T instability is investigated using numerical analysis. Corresponding graphs are plotted for showing the effect of these factors on the growth of the R-T instability.
EPR Study of the Dynamic Jahn-Teller Effect of Cu2+ in CdBa(HCOO)4 · 2H2O Single Crystals
Authors: Kalkan Hüseyin , Atalay Sehriman , Senel Ismet 
Published: February 2015

Abstract
Electron Paramagnetic Resonance spectra of Cu2+ doped into cadmium barium formate dihydrate single crystal were studied at 300 K. The powder spectrum of this material was studied at 300 to 133 K. The values of the g and A hyperfine tensors were found to be temperature dependent. The temperature dependence of the Cu2+ EPR spectrum is discussed in terms of the dynamic Jahn-Teller effect. The angular variation of the spectra indicates the substitution of the host Cd2+ with Cu2+ . The spectra were fitted with a tetragonal spin-Hamiltonian, the parameters of which were determined at 300 K. The ground-state wave function of the copper complex has been constructed at 113 K and 300 K.
EPR of O2
- Radicals in the Zeolites NH4NaY and NH4CaA
Authors: Köksal F. , Ucun F. 
Published: February 2015

Abstract
Activated and non-activated states of the zeolites NH4NaY and NH4CaA, and their NH4 forms were prepared with an (NH4)2SO4 solution and were investigated by EPR after 7-irradiation. The formed radicals were attributed to O2
- supposed to be trapped near a trigonally coordinated framework of 27Al (I = 5/2). Anisotropic O2
- spectra were observed, consisting of hyperfine structure due to the 27Al framework, even at room temperature. This was attributed to the scarceness of NH4 sites or trap sites because of the preparation of the NH 4 forms of the zeolites with an (NH4)2SO4 solution. The crystal field splittings were found and interpreted.
Excitation of the 210 nm Zn II Line in a Hollow Cathode He-Ne-Zn Discharge
Authors: Jánossy M. , Mezei P. 
Published: February 2015

Abstract
In a hollow cathode He-Zn discharge it was observed that addition of Ne stops laser oscillation at the 492.4 nm Zn II line and increases significantly the spontaneous intensity at the 210 nm Zn II line, which originates from the 4d2 D5/2 lower level of the laser transition. Based on a rate equation model, the cross-section of the Ne ion-Zn atom charge transfer collisions populating the 4d2D5/2 level was determined. The cross-section 3.5x 10-15 cm2 found by us is in acceptable agreement with the value 2.3x 10-15 cm2 reported in the literature. This high cross-section together with existing lower level depopulation points to the possibility of obtaining laser oscillation at 210 nm in a Ne-Zn discharge.