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Ab initio molecular orbital studies of polyethylene deformation

A. L. Brower、John R. Sabin、Buckley Crist 等 4 位作者1980-08-01International Journal of Quantum Chemistry

Abstract A molecular LCAO Hartree‐Fock procedure was used to calculate total energies of axially stretched normal paraffins containing up to nine carbon atoms. The results are used to model the mechanical properties of polyethylene.

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesFiber-reinforced polymer composites

Studies of molecular aggregation of a polybenzimidazole in solution by fluorescence spectroscopy

Takakazu Kojima1980-08-01Journal of Polymer Science Polymer Physics Edition

Abstract A purified, well characterized sample of polybenzimidazole (PBI) has been studied by fluorescence spectroscopy in order to obtain information concerning molecular aggregation in solution. Fluorescence and excitation spectra of PBI and a model compound have been measured in N , N ‐dimethylacetamide (DMA) and i…

Polymer Nanocomposites and PropertiesSynthesis and properties of polymersPolymer Nanocomposite Synthesis and Irradiation

Hydrothermal Alteration of a Serpentinite Near Takovo, Yugoslavia, to Chromium-Bearing Illite/Smectite, Kaolinite, Tosudite, and Halloysite

Zoran Maksimović、G. W. Brindley1980-08-01Clays and Clay Minerals

Abstract Hydrothermal alteration products of serpentinite near Takovo, Yugoslavia, were studied by X-ray powder diffraction and chemical analysis. A zone of mainly blue clays adjacent to the hydrothermal vein contains intimately associated chromium kaolinite and tosudite at higher hypsometric levels and chromium hallo…

Clay minerals and soil interactionsIron oxide chemistry and applicationsTherapeutic Uses of Natural Elements

The Phase Transition and the Structures of Superionic Conductor Ag3SBr

Takashi Sakuma、Sadao Hoshino1980-08-01Journal of the Physical Society of Japan

The ordered phase concerning the Ag distribution of a superionic conductor Ag 3 SBr was discovered below 128 K. The transition heat and the entropy change were measured to be 0.23 kcal/mol and 1.77 cal/mol·deg respectively. The transition is of the first order but is close to the second order one. The crystal structur…

Material Dynamics and PropertiesIonic liquids properties and applicationsSolid-state spectroscopy and crystallography

Fuel Survey in the Light Water Reactors Based on the Activity of the Fission Products

R. Beraha、G. Beuken、G. Frejaville 等 5 位作者1980-08-01Nuclear Technology

For pressurized water reactor fuel, to correlate clad failure characterization and localization methods with primary cooling water gamma measurements, it was necessary to define the set of equations describing fission product (FP) generation and transport. Such a technique has been developed by the French Commissariat…

Nuclear reactor physics and engineeringNuclear Materials and PropertiesNuclear and radioactivity studies

Cd2SnO4, CdIn2O4, and Cd2GeO4 as anodes for the photoelectrolysis of water

F. P. Koffyberg、F. A. Benko1980-08-01Applied Physics Letters

From their photoelectrolysis spectra we have determined the lowest band gaps of Cd2SnO4, CdIn2O4, and Cd2GeO4 to be 2.12 (indirect), 2.23 (forbidden), and 3.15 eV (indirect), respectively; their flat-band potentials are +0.18, +0.25, and −0.82 V (SCE), respectively. This combination of band gaps and flat-band potentia…

Advanced Photocatalysis TechniquesNuclear materials and radiation effectsElectronic and Structural Properties of Oxides

Rb6In2S6 und Rb4In2S5, zwei neue Thioindate mit isolierten und verknüpften [In2S6]6- Anionen / Rb6In2Se6 and Rb4ln2S5, Two NEW Thioindates with Isolated and Connected [In2S6]6- Anions Respectively

Hans‐Jörg Deiseroth1980-08-01Zeitschrift für Naturforschung B

Abstract The hitherto unknown title compounds were prepared by a disproportionation reaction starting from elementary rubidium and indium monosulfide. Rb 4 ln 2 S 5 crystallizes in the triclinic system (P1̄) with the lattice constants a = 931.7(2); b = 1097.6(3);c = 761.2(2)pm; a = 111.32°(2); β = 94.70°(2); γ = 103.7…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyInorganic Chemistry and Materials

Dynamic and cooperative Jahn-Teller distortions in copper pyridine N-oxide complexes, Cu(pyO)6X2 (X = tetrafluoroborate(1-), perchlorate(1-), and nitrate(1-): structural and EPR studies of pure and zinc-doped systems

John Wood、C. P. Keijzers、E. de Boer 等 4 位作者1980-08-01Inorganic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDynamic and cooperative Jahn-Teller distortions in copper pyridine N-oxide complexes, Cu(pyO)6X2 (X = tetrafluoroborate(1-), perchlorate(1-), and nitrate(1-): structural and EPR studies of pure and zinc-doped systemsJ. S. Wood, C. P. Keijzers, E. De Boer, and A. ButtafavaCit…

Metal complexes synthesis and propertiesMagnetism in coordination complexesElectron Spin Resonance Studies

Reaction of monodentate (tertiary phosphine)nickel(II) complexes NiX2(PR3)2, NiX2(PMe3)3, and (NiX(PMe3)4)(BF4) with carbon monoxide. Crystal and molecular structure of NiI2(CO)(PMe3)2

C. Saint-Joly、A. Mari、Alain Gleizes 等 6 位作者1980-08-01Inorganic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReaction of monodentate (tertiary phosphine)nickel(II) complexes NiX2(PR3)2, NiX2(PMe3)3, and (NiX(PMe3)4)(BF4) with carbon monoxide. Crystal and molecular structure of NiI2(CO)(PMe3)2Christine Saint-Joly, Alain Mari, Alain Gleizes, Michele Dartiguenave, Yves Dartiguenave, a…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Luminescence of Cs2NaYCl6—Bi3+ (6s2)

Å. Steen1980-08-01physica status solidi (b)

Abstract The luminescence properties of Bi 3+ ‐activated Cs 2 NaYCl 6 crystals are presented. The Bi 3+ ion (6s 2 ) occupies an Y 3+ site which has cubic symmetry. Excitation in the A absorption band yields 3 T 1u emission. Excitation in the C absorption band, however, yields 3 T 1u and 3 A 1u emission, because both l…

Luminescence Properties of Advanced MaterialsPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallography

Superexchange in copper(II) dimers. 1. Synthesis, characterization, and magnetic behavior of the novel di-.mu.-bromo-bis[bromo(dimethylglyoxime)copper(II)], [CuBr2(dmgH)]2

M. Mégnamisi‐Bélombé、M. A. Novotny1980-08-01Inorganic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSuperexchange in copper(II) dimers. 1. Synthesis, characterization, and magnetic behavior of the novel di-.mu.-bromo-bis[bromo(dimethylglyoxime)copper(II)], [CuBr2(dmgH)]2Michel Megnamisi-Belombe and Mark A. NovotnyCite this: Inorg. Chem. 1980, 19, 8, 2470–2473Publication Da…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation Mechanisms

Crystal lattice control of unimolecular photorearrangements

John R. Scheffer1980-08-01Accounts of Chemical Research

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCrystal lattice control of unimolecular photorearrangementsJohn R. SchefferCite this: Acc. Chem. Res. 1980, 13, 8, 283–290Publication Date (Print):August 1, 1980Publication History Published online1 May 2002Published inissue 1 August 1980https://pubs.acs.org/doi/10.1021/ar50…

Liquid Crystal Research AdvancementsPhotochemistry and Electron Transfer StudiesPhotochromic and Fluorescence Chemistry

Light-induced charge injection in functional crown ether vesicles

Keith Monserrat、Michaël Grätzel、Pierro Tundo1980-08-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLight-induced charge injection in functional crown ether vesiclesKeith Monserrat, Michael Graetzel, and Pierro TundoCite this: J. Am. Chem. Soc. 1980, 102, 17, 5527–5529Publication Date (Print):August 1, 1980Publication History Published online1 May 2002Published inissue 1 A…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesLuminescence and Fluorescent Materials

Thermodynamic properties of uranium dioxide: Electronic contributions to the specific heat

John H. Harding、P. Masri、A.M. Stoneham1980-08-01Journal of Nuclear Materials

It has recently been proposed that the anomalous specific heat of uranium dioxide be ascribed to the effect of electronic defects rather than Frenkel disorder on the union sub-lattice. We here present calculations showing that the entropy contribution from electronic defects is large enough to make a major contributio…

Nuclear reactor physics and engineeringRadioactive element chemistry and processingNuclear Materials and Properties

Kaolinite, Smectite, and K-Rectorite in Bentonites: Relation to Coal Rank at Tulameen, British Columbia

David R. Pevear、Vaughn Williams、George Mustoe1980-08-01Clays and Clay Minerals

Abstract The Tulameen coal field is part of an Eocene nonmarine basin which received extensive volcaniclastic sediments due to its location within an active magmatic arc. Bentonite partings in the coal originally consisted of glassy rhyolitic tephra with phenocrysts of sanidine, biotite, and quartz. During the initial…

Geological and Geochemical AnalysisClay minerals and soil interactionsMineralogy and Gemology Studies

Visualization of static and the dynamics of domain structure in triglycine sulfate by liquid crystals

Н. А. Тихомирова、S. A. Pikin、L. A. Shuvalov 等 7 位作者1980-08-01Ferroelectrics

A method of visualizing the 180°-domain structure in TGS type crystals by means of nematic liquid crystals (NLC) is described. The possibility of visualization is due to the different orientation of NLC molecules on the domains with opposite orientation. The method enables the observation of static domain structure on…

Liquid Crystal Research AdvancementsNonlinear Optical Materials ResearchCrystallization and Solubility Studies

Infrared spectra of hydrogen isotopes in potassium tantalate

Herbert Engstrom、J.B. Bates、L. A. Boatner1980-08-01The Journal of Chemical Physics

The spectroscopic constants of hydroxyl ions formed from hydrogen, deuterium, and tritium in a potassium tantalate (KTaO3) host have been determined. These isotopes were found to diffuse readily either into or out of KTaO3 single crystals. At T=77 K the infrared absorption band due to the OH−, OD−, or OT− stretching v…

Luminescence Properties of Advanced MaterialsAdvancements in Solid Oxide Fuel CellsNuclear materials and radiation effects

Liquid crystal polymers. III. Preparation and properties of poly(ester amides) from p‐aminobenzoic acid and poly(ethylene terephthalate)

W. J. Jackson、H. F. Kuhfuss1980-08-01Journal of Applied Polymer Science

Abstract Poly(ester amides) with physical properties similar to those of liquid crystalline polyesters were prepared by acidolysis of poly(ethylene terephthalate) with p ‐acetamidobenzoic acid and then polycondensation through the acetamido and carboxyl groups. The ester amide polymers had a random sequence distributi…

biodegradable polymer synthesis and propertiesSynthetic Organic Chemistry MethodsSynthesis and properties of polymers

Micellar effects upon electron transfer from ferrocenes

Clifford A. Bunton、Giorgio Cerichelli1980-08-01International Journal of Chemical Kinetics

Abstract The oxidations of ferrocene (FcH) and n ‐butylferrocene (FcBu) by ferric salts (nitrate or bromide) are strongly inhibited by aqueous cetyltrimethylammonium bromide and nitrate (CTABr and CTANO 3 , respectively). The kinetics of inhibition fit a model in which the substrates are distributed between water, and…

Metal complexes synthesis and propertiesCorrosion Behavior and InhibitionSurfactants and Colloidal Systems

Reversible conformational changes induced by light in poly(L-glutamic acid) with photochromic side chains

Osvaldo Pieroni、Julien L. Houben、Adriano Fissi 等 5 位作者1980-08-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReversible conformational changes induced by light in poly(L-glutamic acid) with photochromic side chainsOsvaldo Pieroni, Julien L. Houben, Adriano Fissi, Paolo Costantino, and Francesco CiardelliCite this: J. Am. Chem. Soc. 1980, 102, 18, 5913–5915Publication Date (Print):A…

Chemical Synthesis and AnalysisClick Chemistry and ApplicationsPhotochromic and Fluorescence Chemistry