bluuebunny/crossref_metadata_2025_split huggingface dataset:
Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
Authors: Jubert A. H. , Védova C. O. Della , Varetti E. L. , Piro O. E. , Aymonino P. J. 
Published: February 2015

Abstract
The rotational barrier about the C-S bond in fluorocarbonylsulfenyl chloride [FC(O)SCl] is investigated using the CNDO method. The results confirm the existence of planar eis and trans conformers and the higher stability of the latter, as suggested by previous vibrational results.
The valence force constants in FC(O)SCl were also calculated and the values obtained compare favourably with results from a previous normal coordinate calculation and with those of related compounds.
Rotational Spectrum of Methylcyanoacetylene A New Millimeter Wave Spectrometer
Authors: Bester M. , Tanimoto M. , Vowinkel B. , Winnewisser G. , Yamada Koichi 
Published: February 2015

Abstract
The ground state rotational spectrum of methylcyanoacetylene, CH3CCCN, has been observed between 8 and 90 GHz, yielding precise rotational constants and a determination of the nuclear hyperfine costant eqQ = -4.0 ± 0.2 MHz. The millimeter wave spectra (70 - 90 GHz) were obtained with a newly constructed spectrometer, employing a synthesizer - controlled reflex klystron as source.
On the Distribution of Isotopes in a Separation Column in Countercurrent Electromigration of Molten Binary Mixtures
Authors: Okada Isao , Lundén Arnold 
Published: February 2015

Abstract
In countercurrent electromigration of molten binary mixtures with a common anion in which each cation is composed of two isotopes, the less mobile cation is enriched toward the anode, and, at the same time, the isotopes of this cation become distributed in a complicated way. Thus, the zone next to the anode where the heavy isotope is enriched is immediately followed by a region where a slight enrichment of the light isotope occurs, while for the more mobile cation the heavy isotope is enriched in both these regions. This phenomenon has been observed in experiments with the systems (Li-K)NO3 and (Li-K)Cl and it has also been reproduced by analyzing the flow equations for the constituent components numerically with a computer. It is verified that the existing formulation for the calculation of the elementary separation factor holds independent of whether there is such an anomaly in the isotope distribution for the less mobile cation.
Chronoamperometric Determination of Solid State Diffusion Coefficients in Copper-Gold Alloys Using a Molten Salt Electrolyte
Authors: Lantelme F. , Chemla M. 
Published: February 2015

Abstract
The intermetallic diffusion coefficient in Cu-Au alloy between 400 °C and 550 °C is measured by chronoamperometry using a Cu-Au electrode in a molten LiCl-KCl electrolyte containing small amounts of Cu+ ions. The current response to a defined constant potential step is controlled by the rate of diffusion in the alloy electrode. The mathematical treatment developed by introducing the Boltzman transformation shows that the current density is a linear function of the reciprocal square root of time whatever the dependence of D versus concentration is.
The method is applied to cathodic as well as anodic potential pulses which correspond to surface alloying or dissolution i.e. diffusion "in" or "out" the sample. The shift of the interface due to the copper deposition or dissolution is considered according to the Oldham and Raleigh's method.
By studying the electrochemical response at very short times the diffusion can be examined in the first atomic layers of the electrode interface.
Internal Mobilities in Molten Systems (Na-K)NO3 and (K-Cs)NO3
Authors: Yang Chao-cheng , Takagi Ryuzo , Okada Isao 
Published: February 2015

Abstract
Internal mobility ratios in melts of the binary systems (Na-K)NO3 and (K-Cs)NO3 have been measured with the Klemm method in a wide range of concentration and temperature. From these and the available data on densities and conductivities, the internal mobilities have been calculated. In both systems the Chemla effect has been observed at relatively high temperature. The internal mobilities of Na+ and K+ seem to be well expressed by b = [A/(V- V0)] exp(-E/RT) (V: molar volume; V0 , A and E are parameters) in the respective systems (Na-M)NO3 (M = K, Rb and Cs) and (K-M)NO3 (M=Rb and Cs). The internal mobilities in the binary alkali nitrate melts can be qualitatively rationalised in terms of the attraction effect, the free space effect and the agitation effect.
Observation of the Zeeman Effect of Ozone by Doppler Free Laser Spectroscopy
Authors: Schieder R. , Winnewisser G. 
Published: February 2015

Abstract
The Zeeman effect of rotational-vibrational transitions of ozone has been studied with a CO2 laser at 9.6 μm by means of saturation spectroscopy. The observed Zeeman pattern of the ν3 transitions 168.9-168.8 and 119.2-129.3 are analyzed and compared with calculations. The previously proposed assignments are confirmed.
Vapour Pressure Isotope Effects of Chloroform
Authors: Jancsó G. , Jákli Gy. , Fetzer Cs. 
Published: February 2015

Abstract
The vapour pressure difference between CHCl3 and CDCl3 is measured by differential capacitance manometry between -60 and +60 °C. The results can be expressed by the equation ln(pH /pD) = 5.507 × 10-3-6.269/T. The vapour pressure of CHCl3 between -98 and +62°C has also been determined. The experimental H/D vapour pressure isotope effect data together with the available literature values on the 12C/13C and 35C1/37Cl isotope effects are interpreted within the framework of the statistical mechanical theory of isotope effects in condensed systems. The results show that the anharmonicity constant of the CH stretching vibration decreases by about 4% on the vapour-liquid transition.
A Molecular Dynamics Study of the Structure of an Aqueous CsF Solution
Authors: Szász Gy. I. , Heinzinger K. 
Published: February 2015

Abstract
A molecular dynamics simulation of a 2.2 molal aqueous CsF solution has been performed employing the ST2 water model. The basic periodic cube with a sidelength of 18.50 Å contained 200 water molecules, and 8 ions of each kind, corresponding to an experimental density of 1.26 g/cm3. The simulation extended over 6.5 ps with an average temperature of 307 K. The structure of the solution is discussed by means of radial distribution functions and the orientation of the water molecules. The computed hydration numbers in the first shell of Cs+ and F- are 7.9 and 6.8, respectively; the corresponding first hydration shell radii are 3.22 A and 2.64 A, respectively. Values for the hydration shell energies and the heat of solution have been calculated.
Glassy Carbon/KCl-Solution Interface Impedance. Mechanical Surface Treatment Effect
Authors: Mentus S. V. 
Published: February 2015

Abstract
The dependence of complex impedance behaviour on mechanical surface treatment of glassy carbon electrodes in standard water KCl solutions at room temperature was investigated. A considerable frequency dependence of both the real and the imaginary term of the impedance was observed in the entire 1-50 kHz range of frequencies used for electrodes of different surface roughness. The results are discussed in the light of the Levie theory.
Ba, Rb and Cs in the Earth's Mantle
Authors: Hofmann Albrecht W. , White William M. 
Published: February 2015

Abstract
In 166 isotope dilution analyses of Ba, Rb, Cs on fresh basalts from mid-ocean ridges and oceanic islands, Ba/Rb and Cs/Rb ratios are nearly constant. From this, we conclude that Ba/Rb and Cs/Rb ratios are essentially constant in the present-day mantle in spite of large differences in the degree of source depletion or enrichment. As it appears improbable that these ratios could be both constant and non-primitive, we propose that they are representative of the primitive mantle and of the present-day crust-mantle system. We explain this uniformity of relative abundances as follows: the mantle is depleted by subtraction of a mobile phase such as a partial melt or an aqueous fluid. In either case, a significant amount of the mobile phase remains in the residue. Ba, Rb and Cs are among the most highly incompatible elements. Therefore the mobile phase cannot fractionate these elements relative to one another but retains the source ratios of Ba/Rb and Cs/Rb. Also, the amount of mobile phase remaining in the residue is enough to dominate the Ba, Rb and Cs concentrations in the residue. Consequently, neither the mobile phase nor the residue, nor any other portion of the mantle that may be enriched by addition of the mobile phase, will be changed in their relative abundances of Ba, Rb and Cs, even though the absolute abundances of these elements may change by orders of magnitude.
The primitive Ba/Rb = 11.3 and Cs/Rb = 12.6 x 10-3 lead to the following estimates for the primitive mantle: Ba = 6.9 ppm (taken from Jagoutz et al. [1]). Rb = 0.61 ppm and Cs = 7.7 ppb.
Assuming the earth has a chondritic Sr/Ba ratio of 3.08, we calculate a Rb/Sr ratio of 0.029 for the earth. This corresponds to a present-day 87Sr/ 86Sr of 0.7045. This value lies near the lower limit of the ratios estimated from the correlation of Nd and Sr isotopic abundances in oceanic basalts.
The Cs/Rb ratios is about a factor of ten lower than the Cl-chondritic ratio and a factor of three lower than the lunar ratio. This low terrestrial Cs/Rb ratio should be matched by similar values in the continental crust. However, the large range of Cs/Rb ratios found in the crust prevent us from obtaining a meaningful mass balance.
On the Pressure Balance and Plasma Transport in Cylindrical Magnetized Arcs
Authors: Schram D. C. , Mullen I. J. A. M. v. d. , Pots B. F. M. , Timmermans C. J. 
Published: February 2015

Abstract
Magnetized current-carrying plasmas exhibit usually significant E x B rotation velocities which often approach the ion thermal velocity. It is shown both experimentally and theoretically that this rotation in combination with inertia, viscosity and friction leads to an important reduction of the radial transport. If the radial electric field component is directed inward an inwardly directed force on the ions is set up. On the other hand, turbulence leads to enhanced transport especially at higher values of the electron Hall parameter. Also this effect is observed in this experiment and is shown to be in accordance with measured turbulence levels.
On the Approximate Relation Between the Sum of Semiempirical Molecular Orbital Energies and the Total Energy of a Molecule
Authors: Maksić Zvonimir B. , Rupnik Krešimir 
Published: February 2015

Abstract
The Ruedenberg type formula relating the total molecular energy to the sum of orbital energies is examined by using SCC-MO and ab initio DZ MO eigenvalues. Comparison with rigorous ab initio DZ energy expectation values indicates that Ruedenberg’s formula in its original form can not provide semiquantitative information on molecular energetics. Much more promissing in this respect is the electrostatic potential at the nuclei approach of Politzer and Parr.
Untersuchung von Fe90B10-und Fe83B17-Schmelzen mittels Röntgen-Beugung/ X-Ray investigation with Fe90B10- and Fe83B17-melts
Authors: Noid Ernst , Rainer-Harbach Georg , Lamparter Peter , Steeb Siegfried 
Published: February 2015

Abstract
By means of X-ray diffraction the two molten alloys Fe90B10 and Fe83B17 were investigated. The second maximum of the intensity curve shows in both cases a small shoulder which up to now never was observed with binary melts. The interatomic distances and the coordination numbers were evaluated. The normalized atomic distances taken from the pair correlation function of amorphous Fe80B20 agree well with those reported in literature for a tetrahedral model, whereas the normalized distances obtained with the two melts show rather large deviations from this model.
Zur spektroskopischen Analyse von Reaktionen zweiter Ordnung
Authors: Mauser Heinz 
Published: February 2015

Abstract
The following questions are investigated: Is it possible to analyse chemical reactions with spectrophotometric means only, without knowledge of molar absorptivities? What kind of informations are necessary to distinguish between two or more chemical reactions? This investigation is restricted on simple reactions of first and second order. The differential equation is solved for the general case. Difference Equations for the kinetic analysis are expressed. For a number of selected reactions the characteristic parameters are listed. More complicated reactions will be investigated in a following paper.
Proton NMR Investigations of the Smectic-C Phases of Three Alkyloxy-Azoxybenzenes
Authors: Limmer St. , Findeisen M. 
Published: February 2015

Proton NMR investigations of the smectic-C phases of three 4,4′-bis-n-alkyloxy-azoxybenzenes (C7, C8 , C9) with temperature independent tilt angles are presented.
The behaviour of well-aligned samples (strong magnetic field ≳ 1.5 T, slow cooling rate) under rotation in the field can be described by the models of Luz and Meiboom, and Wise, Smith, and Doane, (LM/WSD), resp. However, on polarization of the samples in presence of magnetic fields ≲ 0.75 T the molecular directors are not arranged preferentially parallel to the direction of the polarizing magnetic field but are rather inclined, i.e., the layers are stacked preferentially perpendicular to the original magnetic field direction (PSL model). It is shown that all the angular dependences of NMR second moments can be interpreted in terms of a superposition of the LM/WSD and PSL models, or, on the other hand, by assuming totally disordered fractions of the samples together with portions that fully obey the behaviour demanded by one of the above models (LM/WSD or PSL). The tilt angles derived from the comparison of experimental and theoretical angular dependences of the second moments for well-aligned samples are applied to the explanation of the experiments at lower polarizing fields successfully, too.
Die chemische Fixierung von Kryptonisotopen in Zeolith 5 A — Voraussetzung für die Messung von 25 keV Neutroneneinfang- querschnitten mit der Aktivierungstechnik/ The Chemical Fixation of Kr Isotopes in Zeolite 5 A.- Prerequisite for the Determination of 25 keV Neutron Capture Cross Sections with the Activation Method
Authors: Penzhorn R.-D. , Walter G. , Beer H. 
Published: February 2015

Abstract
By chemical fixation of Kr in zeolite 5 A adequate samples can be obtained to determine the capture cross section of reactions such as 84 Kr (n, γ) 85Krm and 86Kr (n, γ) 87Kr. The employed zeolite loading was of the order 52-66 [cm3 STP Kr/g zeolite]. The capture cross section of the reaction 84Kr(n, γ) 85Krm was determined at thermal and 25 keV neutron energy. The value obtained at 25 keV is of relevance to the stellar nucleosynthesis of heavy elements.
Reliability Theory of Stochastic Fracture Processes in Sustained Loading: Part II, Stochastic Loading
Authors: Necsulescu D. , Krausz A. S. , Krausz K. 
Published: February 2015

Abstract
A Markovian model of crack growth was presented in the first part of the paper. The present Part II presents a model for the case of random load, in order to obtain the probability distribution of the resulting crack size. A general model and the particular cases of a uniformly distributed stress intensity factor and mechanical work, are presented. This model separates the factors producing the crack growth in a homogeneous material from those considered in the Weibull model for nonhomogeneous materials.
Vibrational Spectra and Force Constants of Symmetric Tops, XXXIII. Rovibrational Analysis of ν6 ,2ν6
0 and 2ν6
±
2of H3
74GeI
Authors: Bürger H. , Eujen R. , Rahner A. , Schulz P. , Drake J. E. , Cradock S. 
Published: February 2015

Abstract
The infrared spectrum of monoisotopic H3
74GeI has been investigated with a resolution of 0.04 cm-1 in the region of ν6 and 2ν6 . Rotational analyses (σ(J, K)~7 · 10-3 cm-1) of ν6 , 546.117(3), 2ν6±2 , 1094.731(4), and 2ν6
0, 1091.530(4) cm-1 , have been performed, and vibrational and rotational parameters of the apparently unperturbed υ6 = 1 and 2 states have been obtained. Q branches of hot bands with ν3 and ν6 as lower states have been detected, and the anharmonicity constants X36 , X66 and g66 have been determined. The simultaneous analysis of ν6±1 , 2ν6±2 and 2ν6±2 - ν6±1 provides an improved A0 value.
35Cl Nuclear Quadrupole Interaction in Thionyl Chloride
Authors: Mata Fernando , Carballo Norberto 
Published: February 2015

Abstract
21 hyperfine multiplets, up to J = 12, have been measured for thionyl chloride (32S16O35Cl2), by means of microwave spectroscopy in the region 18.0 -26.5 GHz. Nuclear quadrupole coupling constants along the principal axes of inertia were determined to be χaa = - 25.004 ± 0.040 MHz, χbb = -0.009 ± 0.025 MHz and χcc = 25.013 ± 0.031 MHz. Also, coupling constants along the S-Cl bond axis (z axis) and two axes perpendicular to this have been calculated to be χxx = 65.93 MHz, /χyy = 30.36 MHz and χzz = -96.30 MHz. These values have been compared with those of other workers and with those of other related molecules. Information about the electronic distribution in the S-Cl bond has been obtained from the values of these constants, and the results have been discussed.
Notizen: Raman-Spektroskopische Untersuchungen der Systeme ASCl3/Cl2-AlCl3 und AsCl3 /Cl2-GaCl3/ Raman Spectra of the Systems AsCl3/Cl2—AlCl3 and AsCl3/Cl2-GaCl3
Authors: Demircan B. , Brockner W. 
Published: February 2015

Abstract
In the systems investigated only the compounds AsAlCl8 and AsGaCl8 g are found. Raman spectra were recorded for the solid and molten compounds and for mixtures with excess ASCl3 + CL2 and AlCl3 and GaCl3 , respectively. The observed frequencies are assigned to tetrahedral AsCl4
+, AlCl4
- and GaCl4
- units. Melting of AsCl4AlCl 4 and AsCl4GaCl4 causes a decomposition into AsCl3 , Cl2 and AlCl3 and GaCl3 , respectively.
Der Einfluß der Spin-Kopplung auf die ESR-Spektren der Orthochromite YCrO3 und LuCrO3 / The Influence of Spin-coupling on the ESR-spectra of the Orthochromites YCrO3 and LuCrO3
Authors: Dräger K. 
Published: February 2015

Abstract
Polycrystalline samples of stoichiometric YCrO3 and LuCrO3 were investigated by ESR in the temperature range between 140 K and 520 K. Although the orthochromites have a complicated spin structure, the line width shows the temperature dependence of simple antiferromagnetic systems. Up to a high degree the spectra have a Lorentzian line shape. The ESR intensity confirms the predictions of a cluster model. The coupling energy describing the gap between the bounded and the resonance state was found to be ⊿E = 250 cm-1 for YCrO3 and ⊿E = 210 cm-1 for LuCrO3 . There is a distinct relation between the excitation energy ⊿E and the volume V of the elementary cell. Further calculations concerning the isotropic exchange interaction result in a coupling constant of J = 5.55 cm-1 for YCrO3 and J = 4.67 cm-1 for LuCrO3.
An ab Initio SCF Study on the Stability and Structure of H2CN+ · nN2 Clusters
Authors: Ha Tae-Kyu , Nguyen Minh Tho 
Published: February 2015

Abstract
The clustering energies and geometries of the H2CN+ · nN2 (n = 1, 2 and 3) species have been determined by ab initio SCF calculations with the 4-31G basis set. The calculated clustering energies are in good agreement with the experimentally estimated heats of formation of the cor-responding clusters. The stability of various conformers has been studied in terms of localized orbitals and charge distributions.
Spontaneous Tunnel Transitions Induced by Redistribution of Trapped Electrons over Impurity Centers
Authors: Berezin A. A. 
Published: February 2015

Abstract
A system of polyvalent impurity centers in a semiconductor (i.e. Au-centers in Si) is con-sidered. The ground state of the impurity pair Au-(a) + Au° (b), where an extra electron is localized on the site a, may be turned into an excited state due to a change of the charge state of a third nearby impurity site. This happens because of different shifts of the Au--level at sites a and b due to their different distances from the third center. As a result, the original pair is able to reach a new ground state Au° (a) + Au- (b) through a slow spontaneous tunnel transition. The probability of this transition, when it is accompanied by an emission of a low energy photon, is calculated explicitly.
A Four-Level Double Resonance Experiment on HCCC15N with a Bridge Type Superheterodyne Microwave Spectrometer
Authors: Bomsdorf H. , Dreizler H. 
Published: February 2015

Abstract
A four-level double resonance method has been developed allowing the determination of the relative collision induced change in signal intensity rj without application of the Stark modula-tion technique. The method is based on certain properties of the bridge type superheterodyne spectrometer and may be applied to molecular transitions showing strong microwave absorption, η-values have been determined for various four-level systems consisting of |M| -resolved rotational levels of the linear molecule HCCC15N. In addition to the measurements on the pure substance the influence of foreign gas admixtures with H2 , He, Ne and Ar on the results has been investigated.
Appearance Energies and Calculated Partial Mass Spectra of (23-), (2,4-) and (2,5-)Dimethylaniline Isomers
Authors: El-Kader F. H. Abd , Ahmed H. M. 
Published: February 2015

Abstract
The ionization and appearance energies for the molecular and fragment ions, respectively, of the three dimethylaniline isomers are reported. Breakdown graphs have been constructed expressing the energy dependence of the fragmentation of the isomeric molecular ions covering the internal energy range from threshold to approximately 10 eV. The kinetic shift and the critical energy for the fragments (M-H)+ and (M-CH3)+ ions are also calculated.
Microwave Diagnostic of the Pulsed Plasma Generation in the Hollow-Cathode Glow Discharge
Authors: Hildebrandt J. 
Published: February 2015

Abstract
The radius and speed of the cylindric ionization front that expands during the application of a high-voltage pulse upon a double-plate hollow-cathode, is measured by reflection of 8 mm-microwaves.
By comparing the number of transported electrons and their ionizing action, ionization by single electron collisions is shown to be impossible.
In the "normal regime" below a certain voltage threshold, a pulse height variation has only an influence on the final plasma radius but not on the local speed of the cut-off surface during recombination.
On Energy Differences in Many Body Systems
Authors: Müller Eberhard. E. , Feist Wolfgang 
Published: February 2015

Abstract
Number-and operator-valued energy differences in von Neumann algebras are discussed by means of the Tomita-Takesaki theory. Small energy differences can be evaluated by the anti-commutator of a sort of relative entropy operator and the energy operator. The New-Tamm-Dancoff procedure is studied in terms of the standard form.
Enthalpies of Mixing for Binary Liquid Mixtures of Acids
Authors: Haase R. , Jansen H.-J. , Winter B. 
Published: February 2015

Abstract
For the binary liquid systems formic acid + acetic acid, formic acid + propionic acid, and acetic acid + propionic acid, we give the results of new calorimetric measurements of the molar excess enthalpy H̄E at 25 °C, 30 °C, 40 °C, and 60°C, covering the entire range of compositions. H̄E is always positive, increases linearly with the temperature, and is slightly asymmetric with respect to the mole fraction x. The composition at the maximum of the function H̄E(x) is independent of the temperature.