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Ab initio molecular orbital calculation of fe‐porphine with a double zeta basis set

Hiroshi Kashiwagi、Shigeru Obara1981-10-01International Journal of Quantum Chemistry

Abstract An ab initio LCAO SCF MO calculation was performed on planar Fe‐porphine with a double zeta basis set consisting of 300 CGTO 's. SCF wave functions of several states of Fe‐porphine and its cation were obtained. The net charge of Fe is in the range of 1.39 to 1.53. The highest occupied orbital is ascertained t…

Metal complexes synthesis and propertiesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Free volume, excess entropy and mechanical behavior of polymeric glasses

Shunsuke Matsuoka1981-10-01Polymer Engineering and Science

Abstract Free volume fraction of the Williams‐Landel‐Ferry(WLF)‐Doolittle type has been applied to the analysis of the nonequilibrium state for the glassy polymers. The free volume fraction is a two parameter variable since it depends on the free volume and the occupied volume. The excess entropy is derived from the m…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesRheology and Fluid Dynamics Studies

Heat capacity and other thermodynamic properties of linear macromolecules. III. Polyoxides

Umesh Kumar Gaur、Bernhard Wunderlich1981-10-01Journal of Physical and Chemical Reference Data

The heat capacity of poly(oxymethylene), poly(oxyethylene), poly(oxytrimethylene), poly(oxytetramethylene), poly(oxyoctamethylene), poly(oxypropylene), Poly(oxymethyleneoxyethylene), poly(oxymethyleneoxytetramethylene), poly(oxy-1,4-phenylene), poly(oxy-2,6-dimethyl-1,4-phenylene), ploy(oxy-2,6-diphenyl-1,4-phenylene)…

Polymer crystallization and propertiesThermal and Kinetic AnalysisAdsorption, diffusion, and thermodynamic properties of materials

Modeling of poly(ethylene terephthalate) reactors. I. A semibatch ester interchange reactor

K. Ravindranath、R. A. Mashelkar1981-10-01Journal of Applied Polymer Science

Abstract A comprehensive model for a semibatch ester interchange reactor has been developed with a view to investigate the effect of various process and operational variables on the DMT conversion rate as well as the by‐product formation. The influence of important variables such as EG‐to‐DMT ratio, catalyst concentra…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and properties

Mechanism of Corrosion of Carbon and Low Alloy Ferritic Steels by High Temperature Water

L. Tomlinson1981-10-01CORROSION

Experimental evidence indicates that up to 90% of all hydrogen is generated at the metal/oxide interface during the corrosion of carbon and low alloy ferritic steels by high temperature water, in the absence of oxygen. None of the presently accepted mechanisms are able to account for this observation. After considerat…

High-Temperature Coating BehaviorsHydrogen embrittlement and corrosion behaviors in metalsHeat Transfer and Boiling Studies

The function of silicon dioxide colloids in photoinduced redox reactions. Interfacial effects on the quenching, charge separation, and quantum yields

Itamar Willner、Jer-Ming Yang、Colja Laane 等 5 位作者1981-10-01The Journal of Physical Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe function of silicon dioxide colloids in photoinduced redox reactions. Interfacial effects on the quenching, charge separation, and quantum yieldsI. Willner, Jer-Ming Yang, Colja Laane, John W. Otvos, and Melvin CalvinCite this: J. Phys. Chem. 1981, 85, 22, 3277–3282Publi…

TiO2 Photocatalysis and Solar CellsPorphyrin and Phthalocyanine ChemistryElectron and X-Ray Spectroscopy Techniques

Properties of the hot-pressed strontium barium niobate ceramics

Kunihiro Nagata、Yoji Yamamoto、Hideji Igarashi 等 4 位作者1981-10-01Ferroelectrics

Strontium-barium niobate, (Sr, Ba)Nb2O6, was hot-pressed and the dielectric, piezoelectric and optical properties of samples with a transmission of 40–52% in a wavelength from 0.35 to 1.4 μm were measured. Anisotropies of about 1.5 times were found in both the permittivity and the electromechanical coupling factor in…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

Photocontrol of polypeptide helix sense by cis-trans isomerism of side-chain azobenzene moieties

Akihiko Ueno、Keiko Takahashi、Jun‐ichi Anzai 等 4 位作者1981-10-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotocontrol of polypeptide helix sense by cis-trans isomerism of side-chain azobenzene moietiesAkihiko Ueno, Keiko Takahashi, Junichi Anzai, and Tetsuo OsaCite this: J. Am. Chem. Soc. 1981, 103, 21, 6410–6415Publication Date (Print):October 1, 1981Publication History Publis…

DNA and Nucleic Acid ChemistryClick Chemistry and ApplicationsPhotochromic and Fluorescence Chemistry

Collagen and Collagen-derived Fragments Are Chemotactic for Tumor Cells

Gregory R. Mundy、Sandra A. DeMartino、David W. Rowe1981-10-01Journal of Clinical Investigation

Organs that are rich in collagen such as liver, lungs, and bone are frequently sites of tumor cell metastasis. In this study, we have found that cultured tumor cells of human and rat origin migrated unidirectionally in response to collagen in vitro. Synthetic di- and tri-peptides that contained amino acid sequences fo…

Inflammatory mediators and NSAID effectsBone health and treatmentsCollagen: Extraction and Characterization

Dispersion of relaxation rates in dense liquids and glasses

Morrel H. Cohen、Gary S. Grest1981-10-01Physical review. B, Condensed matter

The structural relaxation rates, which are crucial in understanding the liquid \ensuremath{\leftrightarrow} glass transition, are investigated within the free-volume theory. We discuss the origin of the observed dispersion of relaxation times and show that it is simply related to the dispersion of the total surface-to…

Material Dynamics and PropertiesGlass properties and applicationsTheoretical and Computational Physics

Tempearture Dependence of Tilt, Pitch and Polarization in Ferroelectric Liquid crystals

Ph. Martinot-Lagarde、R. W. Duke、G. Durand1981-10-01Molecular crystals and liquid crystals

We persent tempeature measurements of the importnt parameter defming the properties of the semctic C* Phase in a series of schiff bases. The pitch of the helica texture is measured optically. The molecular tilt is deduced from optical observations and from X-ray measurements of the smectic layer thickness. The critica…

Liquid Crystal Research AdvancementsSynthesis and Properties of Aromatic CompoundsMolecular spectroscopy and chirality

Solid State Bonding of Ceramics with Platinum Foil

R. V. Allen、Fiona P. Bailey、W. E. Borbidge1981-10-01Platinum Metals Review

The solid state reactions that take place between many ceramics and metals can be utilised to produce strong vacuum-tight joints that maintain their strength and durability even at elevated temperatures. In this context platinum can play an especially important role because of its high melting point and resistance to…

Advanced ceramic materials synthesisAdvanced materials and compositesMaterials Engineering and Processing

Phase transition of the layered antiferroelectric squaric acid: mechanism and new aspects1

J. Petersson1981-10-01Ferroelectrics

The results are presented and discussed of previous and recent experiments concerning the mechanism of the anti ferroelectric phase transition in squaric acid. Special emphasis is laid upon an extended discussion of the static equation of state of the order parameter because of its importance for establishing microsco…

Liquid Crystal Research AdvancementsSolid-state spectroscopy and crystallographyMolecular spectroscopy and chirality

RELAXATION PEAKS PRODUCED BY DEFECT COMPLEXES IN CERIUM DIOXIDE DOPED WITH TRIVALENT CATIONS

Michael P. Anderson、A. S. Nowick1981-10-01Le Journal de Physique Colloques

Cerium dioxide doped with Y3+ ions, which is of interest for its ionic conductivity, is here studied by anelastic methods. The internal friction peaks observed are analyzed into peaks A, B, C (with Hr = 0.64, 0.71 and 0.78 eV, respectively). Peak A, present at low Y3+ concentrations is established to be due to a YV Pa…

earthquake and tectonic studiesAdvancements in Solid Oxide Fuel CellsHigh-pressure geophysics and materials

Raman study of the improper ferroelectric phase transition in iron iodine boracite

Q. Kim、R. B. Somoano1981-10-01Ferroelectrics

The reduction in the dielectric anomaly near Tc in improper ferroelectrics suggests that this behavior may be exploited to significantly enhance the figure-of-merit for pyroelectric infrared detection. This “reduction” is associated with a decoupling of the thermal and dielectric responses which, in turn, reflects the…

Glass properties and applicationsCrystal Structures and PropertiesSolid-state spectroscopy and crystallography

Strategy for the synthesis of cylindrical macropolycyclic hosts with hydrophilic interior surfaces: crown ether rings fused by the tetrahydroxymethylethylene (THYME) unit

David M. Walba、Rodney M. Richards、Steven P. Sherwood 等 4 位作者1981-10-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStrategy for the synthesis of cylindrical macropolycyclic hosts with hydrophilic interior surfaces: crown ether rings fused by the tetrahydroxymethylethylene (THYME) unitDavid M. Walba, Rodney M. Richards, Steven P. Sherwood, and R. Curtis HaltiwangerCite this: J. Am. Chem.…

Advanced Polymer Synthesis and CharacterizationAnalytical Chemistry and ChromatographyDendrimers and Hyperbranched Polymers

Characterization of glassy state relaxations by low pressure carbon dioxide sorption in poly(methyl methacrylate)

J. M. H. Fechter、H. B. Hopfenberg、William J. Koros1981-10-01Polymer Engineering and Science

Abstract Poly(methyl methacrylate) (PMMA) microspheres were swollen in methanol vapor, the swelling penetrant was quickly evacuated, and the subsequent relaxation of the polymer under vacuum was monitored by determination of the rate of settling of rapidly measured low pressure pseudoequilibrium CO 2 sorption isotherm…

Phase Equilibria and ThermodynamicsMembrane Separation and Gas TransportPolymer Foaming and Composites

Poly(vinyl chloride) processes and products.

R N Wheeler1981-10-01Environmental Health Perspectives

Poly(vinyl chloride) resins are produced by four basic processes: suspension, emulsion, bulk and solution polymerization. PVC suspensions resins are usually relatively dust-free and granular with varying degrees of particle porosity. PVC emulsion resins are small particle powders containing very little free monomer. B…

Polymer Science and PVC

PERFLUOROALKYLTIN(IV) HALIDES: A NOVEL PERFLUOROALKYLATING AGENT FOR CARBONYL COMPOUNDS

Tomoya Kitazume、Nobuo Ishikawa1981-10-01Chemistry Letters

Abstract Perfluoroalkyltin(IV) halides (RfSnX2I) were prepared in situ by the oxidative addition of perfluoroalkyl iodides to tin(II) halide in N,N-dimethylformamide. Aldehydes and ketones readily reacted with RfSnCl2I giving perfluoroalkylcarbinols in the N,N-dimethylformamide-pyridine system. RfSnF2I, however, did n…

Fluorine in Organic ChemistryMarine Biology and Environmental ChemistrySynthesis and properties of polymers

Thermal polymerization of acrylamide by differential scanning calorimetry

K. Kishore、K. Santhanalakshmi1981-10-01Journal of Polymer Science Polymer Chemistry Edition

Abstract Thermal polymerization of acrylamide was studied by differential scanning calorimetry. Latent heat of fusion Δ H f and enthalpy of polymerization Δ H p values were found to be 36 and −18.0 kcal mol −1 , respectively. The overall activation energy E for the polymerization was calculated to be 19 k cal mol −1 u…

Polymer Science and PVC