bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetics and Mechanism of Nd2CuO4 Synthesis
Authors: Ghigna Paolo , Scavini Marco 
Published: February 2015

Abstract
The reaction Nd2O3 + CuO → Nd2CuO4 was investigated on the basis of the Wagner-Schmalzried theory of diffusion-driven reactions between crystalline solids, with the help of monodimen­sional chemical diffusion measurements. It was found that the kinetics of the process is governed by Cu2+ diffusion, and the chemical diffusion coefficient D̃(Cu2+) in the Nd2CuO4 matrix was obtained (9.9 · 10-13, 1.97 · 10-12 and 1.98 · 10-11 cm2 s-1 at 1223, 1273 and 1323 K, respectively). The relatively low value of D̃(Cu2+) was interpreted on the basis of the crystal structures of the compound and related materials, which in addition may suggest an alternative rationale for the interpretation of neodymium immobility.
121Sb and 35Cl NQR in RCN · SbCl5 Complexes
Authors: Semin G. K. , Kuznetsov S. I. , Raevsky A. M. , Bryukhova E. V. 
Published: February 2015

Abstract

35Cl and 121Sb NQR spectra of RCN · SbCl5 complexes with R = Et, n-Pr, i-Pr, n-Bu, n-C5H11 , Cl(CH2)2, C6H4CH2, Ph, Cl, Me, CCl3 were measured and /or refined at 77 K. Redistribution of the "transferred charge" in the SbCl5 fragment of the complexes under study was investigated. The existence of a specific region of dispersion of the electron-nuclear motions (DENM) in RCN · SbCl5 complexes was established.
79,81Br NQR Spectra of Alkyl(4-Bromophenyl)Sulphides
Authors: Feshin Valentin P. , Nikitin Peter A. , Aliev Ismail A. 
Published: February 2015

Abstract
The 79,81Br NQR spectra of compounds of the series 4-BrC6H4SR with R = (CH2)nH (n = 1, 2, 4-9), (CH2)nCH(CH3)2 (n = 0-2) and CHm(CH3)3-m were obtained at 77 K. The halogen atom electron densities in these compounds and chlorine-containing analogs are compared. The ratio of the amplitudes of the NQR frequency oscillations in chlorine-and bromine-containing compounds with R = (CH2)nH corresponds to the ratio of the polarizabilities of 35Cl and 79Br. The variation of the alkyl groups R influences the electron distribution of the halogen atom.
Notizen: On the Sign of the Off-Diagonal Elements of the Nuclear Quadrupole Coupling Tensor
Authors: Spoerel U. , Dreizler H. , Stahl W. 
Published: February 2015

Abstract
If off-diagonal elements of the nuclear quadrupole coupling tensor are determined from the rotational spectrum of only one isotopomer, the magnitude of the off-diagonal elements and the sign of the product χabχbcχac can be obtained but not the individual signs of the off-diagonal elements. In this article we give two proofs for this fact. A determination of the individual signs of the off-diagonal elements is only possible by analysing the spectra of more isotopomers.
Non-Strange Baryon Resonances in the Isgur-Karl Model Including the N=3 Oscillator Shell
Authors: Querbach Stefan , Kretzschmar Martin 
Published: February 2015

Abstract
The nonrelativistic constituent quark model for excited baryon states in the version proposed by Isgur and Karl is extended toward higher energies by including all states containing up to three oscillator excitation quanta. At high energies baryon resonances with spins up to 9/2 become accessible. At all energies and in particular for lower spins strong configuration mixing is obtained. Model predictions are compared to the empirical resonance energies derived in the Karlsruhe-Helsinki pion nucleon phase shift analysis. A search is made for parameter sets that apply simultaneously to the positive parity and the negative parity states. Numerical results are presented and discussed in relation to experimental data and to other theoretical works.
Provenance Study of Famous Chinese Greenware Bodies Using Principal Component Analysis
Authors: Yap C. T. , Hua Younan 
Published: February 2015

Abstract
This work is based on published analytical data of 69 pieces of Chinese greenware bodies from seven famous wares: Yue, Longquan, Southern Song Guan, Ru, Jun, Yaozhou, and Ge. It is possible to do provenance studies of these wares by the application of principal component analysis using major and minor chemical constituents (Si02, Al2O3, Fe2O3, CaO, MgO, K2O , Na2O , and TiO2). The results show that not only are northern and southern greenwares completely distinct in the raw materials used, but in addition the southern greenwares are reasonably well segreated into groups belonging to Yue ware, Longquan ware (white body), Longquan ware (black body) and Southern Song Guan ware. Our analysis also confirms the production of Ge ware in the Longquan area.
Intraionic Structure of HS04
- and Alkali Cation Configuration in Molten NaHS04 and KHS04
Authors: Fukushima K. , Murofushi M. , Oki M . , Igarashi K. , Mochinaga J. , Iwadate Y. 
Published: February 2015

Abstract
The short range structure of molten NaHSO4(I) and KHSO4(II) was estimated by X-ray diffraction. The polyatomic anion, HSO4
-, in both molten salts was found to have a distorted tetrahedral structure in which the bond lengths of S-O and S-OH were 1.45 Å and 1.53 Å in (I) and 1.46 Å and 1.56 Å in (II), respectively. The coordination number of the Na+ or K+ around the HSO4
- was evaluated to be about unity. The semi-empirical molecular orbital calculations by the MNDO-MOPAC method were applied to the determination of the intraionic structure of the H S 0 4 and the bond lengths of S-O and S -OH were computed to be 1.528 Å and 1.666 Å, respectively, supporting qualitatively that the HSO4
- forms a rather distorted tetrahedron.
Photoionization of C60 and C70 in Liquid Alkanes
Authors: Katoh Ryuzi , Lacmann Klaus , Schmidt Werner F. 
Published: February 2015

Abstract
Single photon ionization of C60 in 2,2-dimethylpropane (neopentane, NP), 2,2,4,4-tetramethylpentane (TMP), 2,2-dimethylbutane (neohexane, DMB), and 2,2,4-trimethylpentane (isooctane, iso-OCT), and of C70 in TMP was studied by photoconductivity measurement. Threshold energies of the photoconductivity were determined. From these results, the polarization energies and the ionic radii of the cations were obtained by application of Born's formula. The ionic radii turned out to be smaller than the van der Waals radii of the molecules.
On Biharmonic Fractals Displaying a Structural Transition
Authors: Canessa Enrique , Wang Wei 
Published: February 2015

Abstract
A new class of fractal structures displaying a structural transition on growing is studied by considering the morphology selection mechanism under the biharmonic field V̄2(V̄2u) = 0 as recently proposed by the authors [Phys. Rev. E 47, 476 (1993)]. By relating the growth probability for each site to the local ("potential") field as (V̄2u)n , the effects of the surrounding medium and of geometrical constraints for the seed particles are numerically calculated and discussed. A theoretical estimation of the transition point is given anew by solving the biharmonic equation with the boundary conditions used in simulations.
Isomerization of Diphenyl Polyenes. Part VIII. Absorption and Fluorescence Properties of l-Phenyl-4-diphenylthiophosphinyl Butadiene in Poly (vinyl alcohol) Film
Authors: Kawski A. , Piszczek G. , Kukliński B. , Nowosielski T. 
Published: February 2015

Abstract
The effect of temperature (from 296 to 423 K) upon the absorption and fluorescence of l-phenyl-4-diphenylthiophosphinyl butadiene (PDPB) and of the direct irradiation on the absorbance were investigated in poly(vinyl alcohol) film. It was found that for PDPB in PVA film the transition from cis to trans configuration is only possible as a result of thermal isomerization due to the softening of PVA polymer, whereas photoisomerization results in both cis-to-trans and trans-to-cis transitions. Similar as with 1,4-diphenyl-1,3-butadiene in PVA, the luminescence is due to two, trans-trans and cis-trans, PDPB conformers.
Missing Link Between Probability Theory and Quantum Mechanics: the Riesz-Fejer Theorem
Authors: Fröhner F. H. 
Published: February 2015

Abstract
Quantum mechanics is spectacularly successful on the technical level but the meaning of its rules remains shrouded in mystery even more than seventy years after its inception. Quantum-mechanical probabilities are often considered as fundamentally different from classical probabilities, in disre-gard of the work of Cox (1946) -and of Schrödinger (1947) -on the foundations of probability theory. One central question concerns the superposition principle, i. e. the need to work with inter-fering wave functions, the absolute squares of which are probabilities. Other questions concern the relationship between spin and statistics or the collapse of the wave function when new data become available. These questions are reconsidered from the Bayesian point of view. The superposition principle is found to be a consequence of an apparently little-loiown mathematical theorem for non-negative Fourier polynomials published by Fejer in 1915 that implies wave-mechanical inter-ference already for classical probabilities. Combined with the classical Hamiltonian equations for free and accelerated motion, gauge invariance and particle indistinguishability, it yields all basic quantum features -wave-particle duality, operator calculus, uncertainty relations, Schrödinger equation, CPT invariance and even the spin-statistics relationship -which demystifies quantum mechanics to quite some extent.
Determination of the Absolute Configuration of Bis(tetrahydropyran2-yl)methane by Comparison of Measured and Calculated CD-spectra
Authors: Fleischhauer Jörg , Jansen Christoph , Koslowski Axel , Raabe Gerhard , Schiffer Jan , Wollmer Axel 
Published: February 2015

Abstract
The absolute configuration of bis(tetrahydropyran-2-yl)methane (1) was determined by comparison of measured and calculated CD spectra. The theoretical CD spectra were obtained by means of the CNDO/2S method. The five presumably lowest local minima on the energy hypersurface of the title compound were used to describe the conformer equilibrium mixture. The geometries of these conformers were calculated employing the MM3 force field, the semiempirical AM1 method and one-determinant ab initio calculations employing the 6-31G* basis set. Boltzmann factors were then obtained using relative energies calculated with three different basis sets and including correlation- and zero point vibrational energy. Based on the sign of the observed and calculated longest wavelength Cotton effect we assign an absolute configuration to the compound which is in keeping with the chirality expected from the assumed reaction mechanism. The results of force field and ab initio calculations converge to the point that the conformer equilibrium is dominated (85 -96%) by one single conformer which is energetically separated from the other conformers by about 2-3 kcal/mol. This result agrees with previous experimental data.
Control of a Chaotic Relay System Using the OGY Method
Authors: Holzhüter Th. , Klinker Th. 
Published: February 2015

Abstract
The control method of Ott, Grebogi, and Yorke (OGY) is used to stabilize the unstable periodic orbits of a chaotic relay system. Small variations in the height of the relay output are used as control input. The influence of the control activation bound is studied in detail via the one-dimensional Poincare map of the controlled system. The reduced sensitivity of the multi-step OGY method for higher period orbits can thus directly be verified.
Double Resonance Detection Using Zero Field Level Crossing
Authors: Stephenson David , Smith John A. S. 
Published: February 2015

Abstract
Double resonance level crossing detection cannot normally be used to record transitions between the quadrupole Zeeman levels. Neither can it be used if the quadrupole resonance frequency is larger than the proton NMR frequency in high field. A simple variation of the level crossing experiment is demonstrated which allows energy to be efficiently transferred from quadrupole to proton system and hence lead to detection in these two cases. In the case of the quadrupole Zeeman levels it allows transitions between the ±½ levels to be detected in a small magnetic field, allowing measurement of the asymmetry parameter (ƞ) for spin 3/2 systems. This is demonstrated for the 11B nucleus in triethanolamine borate. Detection of high frequency quadrupole transitions is demonstrated from which relaxation information is obtained.
Ionic Size Induced Defects in Lead Titanate-Zirconate Perovskite Studied by TDPAC Method
Authors: Filho J. Mestnik , Carbonari A. W. , Motta E. F. , Moralles M. , Saxena R. N. , Olzon-Dionysio M. , de Souza S. D. 
Published: February 2015

Abstract
Time differential perturbed angular correlation (TDPAC) measurements were carried-out on PbZr0.8Ti0.2 O3 as a function of temperature. A broad distribution of electric field gradient (EFG) was observed in all cases with a second site for 181Hf-181 Ta probes in the R3c phase. The results were analyzed in terms of a model which simulates an attraction of the ions by the smaller Ti ions. The EFG was calculated within the point charge approximation, by averaging over a large number of configurations generated by random distribution of the Ti ions in an ensemble of lattice cells. It was verified that the model reproduces qualitatively the broadening of the TDPAC frequencies as well as explains the second component EFG observed experimentally.
Calculation of Electric Field Gradients in Isolated Molecules Using the FPLAPW-Code WIEN95
Authors: Soldner Torsten , Tröger Wolfgang , Butz Tilman , Blaha Peter , Schwarz Karlheinz 
Published: February 2015

Abstract
The full potential linearized augmented plane wave method as embodied in the program package WIEN95 was originally developed for crystalline solids and is based on crystal periodicity. The present work demonstrates that it is applicable to isolated molecules with the examples of CdCl2 , HgF2 , and HgCl2 by investigating the required size of artificially enlarged unit cells and by calculating bond distances and vibrational frequencies in excellent agreement with experimental data. The dependence of electric field gradients at Cd and Hg, respectively, on bond angle is investigated. A point charge like behaviour of energetically low lying states is found, whereas large discrepancies from the point charge model occurred for the energetically high lying valence states.
23Na Nuclear Spin-Lattice Relaxation in Dehydrated Zeolite NaY
Authors: Igarashi Mutsuo , Okubob Noriaki , Yoshizaki Ryozo 
Published: February 2015

Abstract
The spin-lattice relaxation time T1 of 23Na-NMR in dehydrated zeolite NaY has been measured from 26 to 300 K. The magnetization recovery curve is not single-exponential at all measured temperatures and T1
-1 increases in proportion to the square of temperature above 200 K. The result is analyzed with a theory of the Raman process based on covalency. The value of T1 is compared with that of NaX in which the concentration of Na is about 2 times larger than in NaY.
35Cl NQR and 1H NMR Studies of Molecular Motions in Guanidinium Salt of Chloroacetic Acid
Authors: Zdanowska-Fnjczek Maria , Grottel Małgorzata , Jakubas Ryszard 
Published: February 2015

Abstract
Multinuclear NQR and NMR techniques have been applied in order to study the molecular dynamics in [C(NH2)3](ClH2CCOO). The 35Cl NQR frequency was measured over a wide range of temperature. The experimental results were described by using the theories of Bayer and Brown which take into account the torsional oscillations of the CClH2 -group of the anion.
A study of the proton NMR second moment as well as relaxation times T1, and T1p performed in a wide temperature range revealed an onset of the guanidinium cation reorientation around its two-fold symmetry axis. Activation parameters for this motion were determined.
Hyperfine Interactions of 57Fe Nuclei in the Study of Interdiffusion Phenomena and Phase Formation
Authors: Carbucicchio M. , Palombarini G. , Rateo M. 
Published: February 2015

Abstract
The effects of interdiffusion phenomena and reactions occurring in the early stages of the interaction at 1273 K between iron and chromium monoborides were studied by transmission Mössbauer and X-ray diffraction techniques, and modifications occurring in Fe/Al multilayers during both deposition and subsequent thermal aging at 400 K in vacuum or air were studied by conversion electron Mössbauer and Auger electron depth profiling techniques. In both cases the main objective of the work was to obtain a better understanding of the mechanisms of modification of the materials under examination with a view towards improving the properties of materials and coatings for specific applications.
NMR of 51V in VRuP: Possible Onset of Charge-Density-Waves
Authors: Nishihara H. , Kanomata T. , Sato K. , Suzuki N. , Harada T. 
Published: February 2015

Abstract
NMR experiments are reported for VRuP which has an orthorhombic TiNiSi structure and shows anomalies in the temperature dependence of the electric conductivity and static susceptibility. A field-swept spectrum of 51V perturbed by a quadrupole interaction has been observed, which shows no anomalous temperature dependence. However, the metallic spin-lattice relaxation rate decreases in a stepwise fashion with decreasing temperature at around 200 K, in accordance with the resistivity and the susceptibility data, suggesting a possible CDW formation in this material.
Investigation of Some New Nonlinear Optical Crystals by Means of NQR, IR and X-Ray Diffraction Methods
Authors: Petrosyan A. M. , Terzyan S. S. , Burbelo V. M. , Sukiasyan R. P. 
Published: February 2015

Abstract
Some new analogues of the nonlinear optical crystal L-arginine phosphate monohydrate (LAP) (Arg • HIO3 , Arg • 2HIO3 , Lys • HIO3 , Lys • 2HIO3 , Lys • 3HIO3 , Bet • 3HIO3) were obtained and investigated by means of IR, NQR, X-ray diffraction and SHG methods. The importance of this class of crystals for revealing new nonlinear optical crystals is pointed out.
NQR View of Solid Phases of NOCl
Authors: Pirnat J. , Trontelj Z. , Borrmann H. 
Published: February 2015

Abstract
Chlorine NQR studies of solid nitrosyl chloride NOC1 between 110 and 212 K are reported. In the temperature dependence an order-disorder phase transition near 145 K, found by X-ray diffraction, is confirmed. Unusual hysteretic NQR signal behaviour indirectly proves also the low temperature phase transition below 100 K. In the measured temperature region fast relaxing mechanisms are present. The upper limit of the expected 14N NQR frequency is estimated using the Townes-Dailey approach.
Phase Transformation and Structure of N-chlorocarbonylisocyanide Dichloride
Authors: Romanenko Evgenii A. 
Published: February 2015

Abstract
The 35Cl nuclear quadrupole resonances in N-chlorocarbonylisocyanide dichloride show that it exists in two polymorphic forms. The metastable a phase has six 35Cl NQR lines and the stable β phase has three. The latter is obtained irreversibly by annealing the α phase at 179 K. The temperature dependences of the 35Cl NQR frequencies, spin-lattice and spin-spin relaxation times are obtained in both phases. The results of the 35Cl NQR studies are discussed together with calculated MNDO level data and other physical properties (IR frequencies, dipole moments) of this compound.
63Cu NQR Studies of Three-coordinated Complexes of Cu(I) with an Isocyanide Ligand
Authors: Khajenouri Fereidoun , Motallebi Shahrokh , Lucken E. A. C. 
Published: February 2015

Abstract
The 63Cu NQR spectra of five three-coordinated complexes of Cu(I) containing an isocyanide ligand are reported. The resonance frequencies are compared with those of other three-coordinated Cu(I) complexes using a partial coupling constant model to describe the effects of the various ligands and to take into account the effects of variations in the molecular geometries. The partial coupling constant of the isocyanide ligand is much higher than that of any other ligand studied so far and leads to the order of donor atom partial field gradients for terminal ligands C>N>Cl>P ≈ S ≈ Br>I>O.
Experimental Gas-phase Halogen Nuclear Quadrupole Coupling Constants; A Review
Authors: Palmer Michael H. 
Published: February 2015

Abstract
As a preclude to a theoretical study of nuclear quadrupole coupling constants (NQCC), via the electric field gradients at equilibrium, we review the current state of knowledge of gas-phase data for a diverse set of axially symmetric inorganic and organic molecules with symmetries C3v , C∞v , D∞h in particular, where the heavy elements are CI, Br and I with C, Si and Ge hydrides. In most of the cases, the latter elements are in an approximately tetrahedral environment.
Public Health 101 Nanocourse: A Condensed Educational Tool for Non–Public Health Professionals
Authors: Ramirez Cherie L. , Gajdos Zofia K. Z. , Kreatsoulas Catherine , Afeiche Myriam C. , Asgarzadeh Morteza , Nelson Candace C. , Kanjee Usheer , Caban-Martinez Alberto J. 
Published: February 2015

Graduate students and postdoctoral fellows—including those at the Harvard School of Public Health (HSPH)—have somewhat limited opportunities outside of traditional coursework to learn holistically about public health. Because this lack of familiarity could be a barrier to fruitful collaboration across disciplines, HSPH postdocs sought to address this challenge. In response, the Public Health 101 Nanocourse was developed to provide an overview of five core areas of public health (biostatistics, environmental health sciences, epidemiology, health policy and management, and social and behavioral sciences) in a two half-day course format. We present our experiences with developing and launching this novel approach to acquainting wider multidisciplinary audiences with the field of public health.
Improving the Use of Competencies in Public Health Education
Authors: Bennett Christina Juris , Walston Stephen L. 
Published: February 2015

Competency-based education is the present and future of public health education. As programs have adopted competencies, many have struggled and continue to struggle with actual implementation and curricular redesign. We experienced these problems at The University of Oklahoma College of Public Health; thus, we propose an adaptable and replicable process to better implement competencies and evaluate student mastery of them throughout any public health program. We specifically recommend adopting mission-based competencies followed by a longitudinal evaluation plan like the model provided.
Public Health Education at the University of Florida: Synergism and Educational Innovation
Authors: Perri Michael G. , Peoples-Sheps Mary , Blue Amy , Lednicky John A. , Prins Cindy 
Published: February 2015

The College of Public Health and Health Professions at the University of Florida is composed of five public health departments and four clinical health professions departments, and the college is one of six that make up the university’s Health Science Center. These organizational resources, along with the university’s explicit emphasis on collaboration across professions, colleges, institutes, and centers and the strong leadership and full support of deans and other academic leaders, provide a strong foundation for educational innovations. Three key areas in which the college has built upon these opportunities are interprofessional education, development of One Health instructional programs, and application of cutting-edge technology to students’ educational experiences. These innovations represent the types of creative approaches to preparing the 21st-century workforce that can be developed through collaboration among multiple disciplines in a major university.