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Choosing Models for Solids

Péter Deák2000-01-01physica status solidi (b)

The atomistic simulation of properties and phenomena in solid materials requires a suitable model of the real system with a number of atoms which is still manageable at the chosen level of approximation. Since typical solids consist of atoms in the order of 1023, only a very small fraction of them can be treated expli…

Microstructure and mechanical propertiesPowder Metallurgy Techniques and MaterialsAdvanced Materials Characterization Techniques

Mercapto-modified copolymers in polymer blends. II. The compatibilization of NBR/EVA blends

Paulo Jansen、Bluma G. Soares2000-01-01Journal of Applied Polymer Science

Ethylene-vinyl acetate (EVA) copolymer functionalized with mercapto groups (EVALSH) has been used as compatibilizing agent in nitrile rubber/EVA blends. The tensile strength and elongation at break of the system were measured as a function of the EVALSH content and blend composition. The compatibilization affects the…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Intermolecular porphyrin–fullerene interaction can reinforce the organogel structure of a porphyrin-appended cholesterol derivative

Tsutomu Ishi‐i、Jong Hwa Jung、Seiji Shinkai2000-01-01Journal of Materials Chemistry

The intermolecular Zn(II) porphyrin–fullerene interaction efficiently occurs in an organogel system: the gelation ability of Zn(II) porphyrin-appended cholesterol gelator 3 is enhanced by the formation of a 2 ∶ 1 Zn(II) porphyrin/[60]fullerene sandwich complex.

Porphyrin and Phthalocyanine ChemistryFullerene Chemistry and ApplicationsSupramolecular Self-Assembly in Materials

Characterization of Sputtered Tantalum Carbide Barrier Layer for Copper Metallization

Hao Yi Tsai、S. C. Sun、Shui Jinn Wang2000-01-01Journal of The Electrochemical Society

In this study, tantalum carbide ( TaC x ) films deposited by a sputtering process with a TaC target as diffusion barriers for Cu metallization were investigated for the first time. The thermal stability of Cu / TaC x / n ‐ Si and Cu / TaC x / p + n systems as a function of annealing temperature are reported and analyz…

Electronic Packaging and Soldering TechnologiesCopper Interconnects and ReliabilitySemiconductor materials and interfaces

Inter-ring interactions and peripheral tail effects on the discotic mesomorphism of ‘free-base’ and Co(ii), Ni(ii) and Cu(ii) alkenyl(sulfanyl) porphyrazines

Sandra Belviso、Giampaolo Ricciardi、Francesco Lelj2000-01-01Journal of Materials Chemistry

The self-organizing capability of a family of newly synthesized ‘free-base', H2(OASPz), and metal porphyrazines, M(OASPz) (OASPz2− = 2,3,7,8,12,13,17,18-octakis(alkenylthio)-5,10,15,20-tetraazaporphyrinato dianion, n = 4, 5, 6, 8; M = Co, Ni, Cu), into columnar, discotic liquid crystals, has been investigated by diffe…

Liquid Crystal Research AdvancementsPorphyrin and Phthalocyanine ChemistryMolecular spectroscopy and chirality

A new phthalocyanine derivative having peripheral 2-thienyl substituents

Tsuyoshi Muto、Tetsuji Temma、Mutsumi Kimura 等 5 位作者2000-01-01Chemical Communications

A phthalocyanine derivative having eight 2-thienyl substituents at the β-position was synthesized and electrochemical oxidation of the phthalocyanine gave an insoluble polymer film on the electrode surface.

Conducting polymers and applicationsPorphyrin and Phthalocyanine ChemistryElectrochemical Analysis and Applications

Evaluation of the oxidative stability of multiextruded polypropylene as assessed by physicomechanical testing and simultaneous differential scanning calorimetry-chemiluminescence

Peter K. Fearon、Niall Marshall、Norman Ć. Billingham 等 4 位作者2000-01-01Journal of Applied Polymer Science

Common physicomechanical tests comprising impact strength, the melt flow index (MFI), and the yellowness index (YI) were used to study the thermooxidative stability of polypropylene (PP) following multipass extrusion. Differential scanning calorimetry (DSC) coupled with chemiluminescence (CL) monitoring was also used…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Synthesis, characterization and properties of a melanin-like/vanadium pentoxide hybrid compound

Hueder Paulo Moisés de Oliveira、Carlos F. O. Graeff、Carmem Lúcia de Paiva e Silva Zanta 等 5 位作者2000-01-01Journal of Materials Chemistry

An intercalated material has been prepared consisting of a regular alternation of organic/inorganic layers. The products were obtained by reacting 3,4-dihydroxyphenylalanine (DL-DOPA) with V2O5·nH2O gel, which underwent an oxidative polymerization/intercalation process, forming a dark blue metallic colored film. The f…

Gas Sensing Nanomaterials and SensorsConducting polymers and applicationsTransition Metal Oxide Nanomaterials

Lanthanide and alkaline-earth complexes of EDTA in water: a molecular dynamics study of structures and binding selectivities †

Sylvie Durand、Jean‐Pierre Dognon、Philippe Guilbaud 等 5 位作者2000-01-01Journal of the Chemical Society Perkin Transactions 2

We report a molecular dynamics (MD) study on M3+ lanthanide and M2+ alkaline-earth complexes of ethylenediaminetetraacetate tetraanion (EDTA4−) in aqueous solution. First, a consistent set of Lennard-Jones parameters for La3+, Eu3+ and Lu3+ cations has been derived from MD and free energy calculations. It reproduces t…

Molecular Sensors and Ion DetectionRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

The transition from short-range to long-range ordering of oxygen vacancies in CaFexTi1-xO3-x/2 perovskites

Ana Isabel Becerro、F. Langenhorst、R. J. Angel 等 6 位作者2000-01-01Physical Chemistry Chemical Physics

The transition from isolated and finite oxygen vacancy clusters in disordered cubic perovskites to structures containing infinite chains of oxygen vacancies in an ordered arrangement was investigated by a combined Mössbauer spectroscopy, X-ray and electron diffraction and high-resolution transmission electron microsco…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Thermoplastic elastomers of butadiene-acrylonitrile copolymer and polyamide. VI. Dynamic crosslinking by different systems

M. Mehrabzadeh、N. Delfan2000-01-01Journal of Applied Polymer Science

The dynamic crosslinking of butadiene-acrylonitrile copolymer (NBR) with polyamide 6 thermoplastic elastomer are studied. The effect of curing systems and the amount of curing agent are described. It is found that the NBR/PA6 60/40 ratio and phenolic curing system have a significant effect on the physical, mechanical,…

Polymer Nanocomposites and PropertiesEpoxy Resin Curing ProcessesSynthesis and properties of polymers

Radiation Mechanism for a Single Bubble Sonoluminescence

Jin-Seok Jeon、Ik-Jun Yang、Jung-Hee Na 等 4 位作者2000-01-01Journal of the Physical Society of Japan

A mechanism of light emission from a single bubble sonoluminescence (SBSL) was formulated by assuming that the source for the light emission is bremsstrahlung in partially ionized gases. This emission mechanism turns out to be same as the black body radiation with finite absorption, which confirms that the principal m…

Ultrasound and Hyperthermia ApplicationsUltrasound and Cavitation PhenomenaPhotoacoustic and Ultrasonic Imaging

Part 2. meso-Tetraphenylporphyrin Dimer Derivatives as Potential Photosensitizers in Photodynamic Therapy¶

M. Amparo F. Faustino、Maria G. P. M. S. Neves、José A. S. Cavaleiro 等 6 位作者2000-01-01Photochemistry and Photobiology

Studies on the synthesis, singlet oxygen and fluorescence yields and pharmacokinetic properties of three different dimeric porphyrins with an amide linkage (D2-D4) are described and compared with the results recently reported for a dimeric porphyrin (D1). The pharmacokinetic behavior of all dimers were examined in Bal…

Nanoplatforms for cancer theranosticsPorphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research Studies

Electrochromic and Structural Studies of Nanocrystalline Fe/V (1:2) Oxide and Crystalline Fe[sub 2]V[sub 4]O[sub 13] Films

Angelja Kjara Šurca、Boris Orel、Urša Opara Krašovec 等 5 位作者2000-01-01Journal of The Electrochemical Society

The sol‐gel route was used for the preparation of Fe/V oxide films with a molar ratio Fe:V = 1:2. Transmission electron microscopy (TEM) measurements of films prepared at 300°C showed that the films consist of a FeVO 4 ‐ II phase with the grains (1 nm) embedded in an amorphous phase. TEM measurements of films heated a…

Transition Metal Oxide NanomaterialsElectrochemical Analysis and ApplicationsMagneto-Optical Properties and Applications

Vulcanization of carboxylated nitrile rubber (XNBR) by a mixed zinc peroxide-sulphur system

Luís Ibarra、M. Alzorriz2000-01-01Polymer International

Vulcanization of carboxylated nitrile rubber (XNBR) with a mixed system based on zinc peroxide and sulphur accelerators produces materials with favourable mechanical properties because of the formation of ionic aggregates which give the vulcanized compounds a certain rigidity. These properties are drastically reduced…

Polymer Nanocomposites and PropertiesDielectric materials and actuatorsStructural Analysis of Composite Materials

Synthesis of novel fluorine-containing poly(aryl ether ketone)s

Kunio Kimura、Yumi Tabuchi、Yuhiko Yamashita 等 6 位作者2000-01-01Polymers for Advanced Technologies

The high-performance fluorinated polymers have been receiving considerable attention as interesting advanced materials. The incorporation of fluorine atoms into polymer chains leads to polymers with increased solubility, flame resistance, thermal stability and glass transition temperature while also leading to decreas…

Epoxy Resin Curing ProcessesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Synthesis and properties of polyurethane modified with an aminoethylaminopropyl-substituted polydimethylsiloxane. II. Waterborne polyurethanes

Hong Chen、Quli Fan、Dongzhong Chen 等 4 位作者2000-01-01Journal of Applied Polymer Science

A series of polyurethane (PU) emulsions modified with aminosilicone were synthesized, based on 2,4-toluene diisocyanate (TDI), poly(tetramethylene oxide) (PTMO), and dimethylolpropionic acid (DMPA) as a prepolymer which was chain-extended with aminoethylaminopropyl polydimethylsiloxane (AEAPS) in an aqueous emulsion.…

Advanced Polymer Synthesis and CharacterizationPolymer composites and self-healingInfrastructure Maintenance and Monitoring

Phthalocyanine formation using metals in primary alcohols at room temperature

Clifford C. Leznoff、Anna M. D’Ascanio、S. Zeki Yıldız2000-01-01Journal of Porphyrins and Phthalocyanines

Lithium metal added to a solution of 4-neopentoxyphthalonitrile in 1-octanol or other long-chain primary alcohols at room temperature resulted in phthalocyanine formation at a reasonable rate in good yield, while preformed lithium 1-octanolate under the same conditions gave 2,9,16,23-tetraneopentoxyphthalocyanine, but…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsOxidative Organic Chemistry Reactions

Microphase-separated structure of 1,3-cyclohexadiene/butadiene triblock copolymers and its effect on mechanical and thermal properties

Kimio Imaizumi、Takashi Ono、Itaru Natori 等 5 位作者2000-01-01Journal of Polymer Science Part B Polymer Physics

We report the effect of microphase-separated structure on the mechanical and thermal properties of several poly(1,3-cyclohexadiene-block-butadiene-block-1,3-cyclohexadiene) triblock copolymers (PCHD-block-PBd-block-PCHD) and of their hydrogenated derivatives: poly(cyclohexene-block-ethylene/butylene-block-cyclohexene)…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesBlock Copolymer Self-Assembly

Synthesis and physicochemical characterisation of new amphiphilic gadolinium DO3A complexes as contrast agents for MRI

Christian Gløgård、Ragnar Hovland、Sigrid L. Fossheim 等 5 位作者2000-01-01Journal of the Chemical Society Perkin Transactions 2

Two approaches were employed in the syntheses of four 1,4,7-tris(carboxymethyl)-10-(2-hydroxyalkyl)-1,4,7,10-tetraazacyclododecanes (4) with alkyl chain lengths from 4 to 16 carbons. Physicochemical properties, such as critical micelle concentration (CMC), micelle size, partition coefficient (P) between water and octa…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies