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Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. II. Application to some simple molecules

Michael Schindler、Werner Kutzelnigg1982-02-15The Journal of Chemical Physics

A coupled Hartree–Fock method with individual gauge for localized orbitals (IGLO) proposed previously is reformulated and applied to the calculation of the magnetic susceptibility χ and the chemical NMR-shifts σ of various small molecules. The agreement with experiment is usually very good. Unlike in traditional metho…

Magnetism in coordination complexesAdvanced NMR Techniques and ApplicationsMolecular spectroscopy and chirality

Brillouin scattering and ultrasonic propagation in the nearly cubic antiferromagnet KNiF3

F. Ganot、C. Dugautier、P. Moch 等 4 位作者1982-02-10Journal of Physics C Solid State Physics

Spin waves, elastic waves and their magnetostrictive coupling in KNiF 3 are studied as functions of temperature and of applied magnetic field by Brillouin scattering and ultrasonic measurements. The light scattering data provide the magnetic and elastic coefficients; in addition, they enable magnetostrictive coefficie…

Multiferroics and related materialsSolid-state spectroscopy and crystallographyMagneto-Optical Properties and Applications

The effects of pressure on the elastic constants of mercury selenide up to the phase transition

P. J. Ford、A. J. Miller、G. A. Saunders 等 6 位作者1982-02-10Journal of Physics C Solid State Physics

From measurements of ultrasonic wave velocities the elastic constants of mercury selenide, HgSe, have been obtained as a function of hydrostatic pressure up to that (P t =9.5*10 8 Pa=9.5 kbar) at which the densification phase transition to the cinnabar structure takes place. At room temperature the elastic constants a…

High-pressure geophysics and materialsNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography

A theoretical model of the linear electro-optic effect

Chun-Ching Shih、A. Yariv1982-02-10Journal of Physics C Solid State Physics

A simple theoretical study of the linear electro-optic effect is presented. This semiclassical approach is based on the single-energy-gap model, the dielectric theory and the concepts of bond charge and effective ionic charge. A general expression is obtained for the electro-optic coefficient of a crystal and is appli…

Photorefractive and Nonlinear OpticsSolid-state spectroscopy and crystallographyOptical and Acousto-Optic Technologies

ChemInform Abstract: ELECTROCHEMISTRY OF MAIN‐GROUP PHTHALOCYANINES

A. B. P. Lever、P. C. Minor1982-02-09ChemInform

Abstract Die Halbstufenpotentialefür die Redoxpaare der Phthalocyaninatokomplexe von Mg(II), Zn(II), Cd(II), Hg(II), Pb(II) und von Al(III), Ga(III) und In(III) mit axialem Cl‐Liganden sowie von Si(IV) mit zwei axialen t‐Amyloxy‐Liganden wurden bestimmt.

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

A statistical theory of polycrystalline plasticity

Miguel Ortiz、Egor P. Popov1982-02-08Proceedings of the Royal Society of London A Mathematical and Physical Sciences

Abstract The plasticity and viscoplasticity of polycrystalline materials are studied analytically in terms of lattice dislocations, with the principal effects attributed to non-extended obstacles. Non-equilibrium statistical mecha­nics is used to describe the evolution of the dislocation structures during loading and…

Microstructure and mechanical propertiesHigh Temperature Alloys and CreepHigh-Velocity Impact and Material Behavior

Long-Range Surface-Plasma Waves on Very Thin Metal Films

Dror Sarid1982-02-08Physical Review Letters

The correct postal code is Edinburgh EH93JZ.Equation (2) should read 8 R' $(R)dR =P(T,R ') ""' 'exp -' + [1+O(e,T,R ')], To El d R «+'&~d «+ & (2p) &" +'& =2/&[

Advanced Fiber Optic SensorsAdvanced MEMS and NEMS TechnologiesCopper Interconnects and Reliability

Thermal Insulating Capabilities of Outdoor Clothing Materials

William C. Kaufman、Dieter Bothe、S. D. Meyer1982-02-05Science

A single heat transfer measurement technique was used to determine the thermal insulating capabilities of four materials used in outdoor clothing-goose down, wool, polyester, and polyolefin. It was found that all provide very similar degrees of insulation.

Textile materials and evaluations

Perfluorocarboxylic Acid Membrane and Membrane Chlor-Alkali Process Developed by Asahi Chemical Industry

Maomi Seko、Shinsaku Ogawa、Kyoji Kimoto1982-02-04ACS symposium series

Asahi Chemical started research and development of the ion-exchange membrane chlor-alkali process in 1966. Research was carried out on the effects of the type of ion-exchange group, ion exchange capacity, degree of crosslinking, membrane structure, caustic concentration, and many other parameters on current efficiency…

Polyoxometalates: Synthesis and Applications

Perfluorinated Ionomer Membranes

Adi Eisenberg、Howard L. Yeager1982-02-04OpenAlex

The past 15 years have witnessed an explosive growth in the literature on ionomers, i.e. ion-containing copolymers in which up to 15 mol % of the repeat units contain ionic groups. Two monographs have appeared on the subject(1,2), as well as proceedings of several symposia(3), in addition to a large number of individu…

Fuel Cells and Related MaterialsSilicone and Siloxane Chemistry

Dynamics of librational motion in N2-type crystals. I. Self-consistent-field theory and the harmonic approximation

T. N. Antsygina、V. A. Slyusarev、Yu. A. Freĭman 等 4 位作者1982-02-01Soviet Journal of Low Temperature Physics

Two approaches are proposed to describe a system of interacting rotors. The version developed of the self-consistent-field approximation, explicitly including simplifications related to the quasi-oscillatory nature of molecular motion in the orientationally ordered phase, makes it possible to consider anharmonic effec…

Solid-state spectroscopy and crystallography

A technique for eliminating the undesirable effect of enhanced anodic corrosion of installations connected to anodically protected equipment

Pavel Novák、J. Bystrianskýp、V. Bartel1982-02-01Materials and Corrosion

Abstract Two techniques for eliminating the unsiderable effect of anodic protection on installations connected to the protected equipment were tested. Model measurements were carried out in a 50% solution of sulfuric acid at 20°C with a type FeCr 18 Ni9 Ti stainless steel under potentiostatic conditions. The use of an…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability

Chain extension of partially neutralized carboxyl‐terminated liquid polybutadiene with bisepoxide

Hideaki Matsuda1982-02-01Journal of Applied Polymer Science

Abstract Chain extension of partially neutralized carboxyl‐terminated liquid polybutadiene (PB) with bisepoxide was investigated by the carboxyl–epoxide reaction. The partially neutralized liquid PB were prepared, by the partial neutralization with MgO and CaO, from a carboxyl‐terminated liquid PB (Hycar CTB 2000X162)…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

The study of apparent negative value in measuring dielectric loss

Yaonan Liu、Liu Chyi-chang1982-02-01IEEE Transactions on Electrical Insulation

The measurement of the dielectric loss of insulating material or electrical apparatus with the Schering bridge at power frequency is one of the most fundamental dielectric tests for evaluating insulation behavior. It has been pointed out that a negative error or even an apparent negative reading of tanδ may result if…

High voltage insulation and dielectric phenomenaPower Transformer Diagnostics and InsulationSensor Technology and Measurement Systems

Deactivation studies of nickel catalysts used in the methanation of carbon monoxide

Pratima Bajpai、Narendra N. Bakhshi、J. F. Mathews1982-02-01The Canadian Journal of Chemical Engineering

Abstract Four laboratory prepared catalysts (Ni/Al 2 O 3 , NiNaY‐uncalcined, NiNaY‐calcined, NiCaY‐calcined) and a commercially available catalyst G‐87 were studied for their deactivation behavior over a period of 24 h at 573 k for various H 2 /CO ratios (3.1, 3.8, 6.4 and 24.5). The results indicated that the activit…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions

Polyelectrolyte complexes of glycol chitosan with some polysaccharides. I. Mixing ratio and dielectric properties

Ramya Srinivasan、Ramasamy Kamalam1982-02-01Biopolymers

Abstract The formation of polyelectrolyte complexes of glycol chitosan (GlChi) with sodium salts of dextran sulfate (DS), carboxymethyl cellulose (CMC), polygalacturonic acid (GalUA) n , and alginic acid (AlgA) has been studied. The number of ionizable groups per pyranose ring and the degree of dissociation as a funct…

Nanocomposite Films for Food PackagingSurfactants and Colloidal SystemsPolysaccharides and Plant Cell Walls

High-Performance, High-Aluminum Zinc Alloys for Low-Speed Bearings and Bushings

Tony Calayag、Dean Ferres1982-02-01SAE technical papers on CD-ROM/SAE technical paper series

<div class="htmlview paragraph">The purpose of this paper is to describe the advantages and validity of substituting the high-performance zinc casting alloys, ZA-12 and ZA-27, for bronze in selected low-speed, medium temperature bearing and bushing applications.</div> <div class="htmlview paragraph">…

Metallurgy and Material Science

Phase-dependent stereochemistry and chemical activation in the thermal decomposition of 2,3-diazabicyclo[2.1.1]hexene

Moon Ho Chang、Dennis A. Dougherty1982-02-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhase-dependent stereochemistry and chemical activation in the thermal decomposition of 2,3-diazabicyclo[2.1.1]hexeneMoon Ho Chang and Dennis A. DoughertyCite this: J. Am. Chem. Soc. 1982, 104, 4, 1131–1132Publication Date (Print):February 1, 1982Publication History Publishe…

Thermal and Kinetic Analysis

Mass ofC18from the double-charge-exchange reactionCa48(O18,C18)Ti48

F. Naulin、C. Détraz、M. Roy-Stéphan 等 9 位作者1982-02-01Physical Review C

The ground-state transition is observed in the double-charge-exchange reaction $^{48}\mathrm{Ca}$($^{18}\mathrm{O}$, $^{18}\mathrm{C}$) $^{48}\mathrm{Ti}$ at 100 MeV. A mass excess of 24.82 \ifmmode\pm\else\textpm\fi{} 0.30 MeV is measured for $^{18}\mathrm{C}$.NUCLEAR REACTIONS $^{48}\mathrm{Ca}$($^{18}\mathrm{O}$, $…

X-ray Spectroscopy and Fluorescence AnalysisNuclear Physics and ApplicationsX-ray Diffraction in Crystallography

The Influence of Filler Particles on the Mobility of Polymer Molecules

Gordon J. Howard、Robert A. Shanks1982-02-01Journal of Macromolecular Science Part A - Chemistry

A statistical experiment has been conducted to investigate the influence of silica fillers on the mobility of poly(vinyl chloride -co-vinyl acetate) molecules as reflected in glass transition temperatures. Measurement of glass transitions was made graphically from DSC curves. The data showed that the glass transition…

Polymer Nanocomposites and PropertiesMaterial Properties and ProcessingPolymer Science and PVC