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Degeneracy in Density Functional Theory: Topology in v- and n-Space

C. A. Ullrich、W. Kohn2002-04-24arXiv

This paper clarifies the topology of the mapping between v- and n-space in fermionic systems. Density manifolds corresponding to degeneracies g=1 and g>1 are shown to have the same mathematical measure: every density near a g-ensemble-v-representable (g-VR) n(r) is also g-VR (except ``boundary densities'' of lower mea…

Mesoscale and Nanoscale PhysicsMaterials Science

Biodegradable polyester composites reinforced with short abaca fiber

Mitsuhiro Shibata、Kei‐Ichiro Takachiyo、Koichi Ozawa 等 5 位作者2002-04-24Journal of Applied Polymer Science

Abstract The mechanical properties of poly(3‐hydroxybutyrate‐ co ‐3‐hydroxyvarelate) (PHBV) composites, reinforced with short abaca fibers prepared by melt mixing and subsequent injection molding, were investigated and compared with PHBV composites reinforced with glass fiber (GF). The influences of fiber length, fibe…

Polymer crystallization and propertiesNatural Fiber Reinforced Compositesbiodegradable polymer synthesis and properties

Mechanism of the Acid-Catalyzed Si−O Bond Cleavage in Siloxanes and Siloxanols. A Theoretical Study

Marek Cypryk、Yitzhak Apeloig2002-04-24Organometallics

Theoretical ab initio calculations were carried out to simulate the hydrolysis of the siloxane bond under neutral and acidic conditions. The most important factors reducing the energy barrier of the reaction are the protonation of the siloxane oxygen (acid catalysis) and the basic assistance to the nucleophile (respon…

Synthesis and characterization of novel inorganic/organometallic compoundsInorganic and Organometallic ChemistrySilicone and Siloxane Chemistry

Polyester Dendritic Systems for Drug Delivery Applications: Design, Synthesis, and Characterization

Henrik Ihre、Omayra L. Padilla De Jesús、Francis C. Szoka 等 4 位作者2002-04-24OpenAlex

Attachment of drugs to high molecular weight polymers can significantly improve both tumor targeting and therapeutic efficacy due to the enhanced permeability and retention effect observed in tumor tissue. However, the commercial availability of well-defined water-soluble polymeric systems with narrow polydispersities…

Advanced Polymer Synthesis and CharacterizationRNA Interference and Gene DeliveryDendrimers and Hyperbranched Polymers

Formation of Ce1-xPdxO2-δ Solid Solution in Combustion-Synthesized Pd/CeO2 Catalyst: XRD, XPS, and EXAFS Investigation

K. R. Priolkar、Parthasarathi Bera、P. R. Sarode 等 7 位作者2002-04-24OpenAlex

Pd/CeO 2 (1 at. %) prepared by the solution-combustion method shows a higher catalytic activity for CO oxidation and NO reduction than Pd metal, PdO, and Pd dispersed over CeO 2 by the conventional method. To understand the higher catalytic properties, the structure of 1 at. % Pd/CeO 2 catalyst material has been inves…

Luminescence Properties of Advanced MaterialsCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Polyester Dendritic Systems for Drug Delivery Applications: In Vitro and In Vivo Evaluation

Omayra L. Padilla De Jesús、Henrik Ihre、Lucie Gagné 等 5 位作者2002-04-24OpenAlex

High molecular weight polymers (> 20 000 Da) have been widely used as soluble drug carriers to improve drug targeting and therapeutic efficacy. Dendritic polymers are exceptional candidates for the preparation of near monodisperse drug carriers due to their well-defined structure, multivalency, and flexibility for tai…

Advanced Polymer Synthesis and CharacterizationRNA Interference and Gene DeliveryDendrimers and Hyperbranched Polymers

Investigation into polishing process of CVD diamond films

Z.N. Guo、C. Y. Wang、Tongchun Kuang2002-04-23Materials and Manufacturing Processes

A new technique used for polishing chemical vapor deposition (CVD) diamond films has been investigated, by which rough polishing of the CVD diamond films can be achieved efficiently. A CVD diamond film is coated with a thin layer of electrically conductive material in advance, and then electro-discharge machining (EDM…

Diamond and Carbon-based Materials ResearchAdvanced Surface Polishing TechniquesTunneling and Rock Mechanics

Preparation and Structure of (Cu(pc))3(ReO4)2 and Theoretical Investigation of Cu(pc)(ReO4), Cu(pc)(ReO4)2, and (Cu(pc))3(ReO4)2

A.S. Gardberg、Kaiming Deng、D. E. Ellis 等 4 位作者2002-04-23Journal of the American Chemical Society

The compound (Cu(pc))(3)(ReO(4))(2) (pc = phthalocyaninato) has been prepared by electrocrystallization from a p-dichlorobenzene solution of Cu(pc) and [N(n-Bu)(4)][ReO(4)]. (Cu(pc))(3)(ReO(4))(2) crystallizes with one formula unit in the triclinic space group P1 with cell constants at T = 153 K of a = 12.6202(6) A, b…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Microstructure and magnetoresistance of epitaxial films of the layered perovskiteLa2−2xSr1+2xMn2O7(x=0.3and 0.4)

J. B. Philipp、Jacques‐Olivier Klein、C. Recher 等 9 位作者2002-04-23Physical review. B, Condensed matter

We have grown c-axis oriented epitaxial thin films of the bilayered perovskite ${\mathrm{La}}_{2\ensuremath{-}2x}{\mathrm{Sr}}_{1+2x}{\mathrm{Mn}}_{2}{\mathrm{O}}_{7}$ $(x=0.3,0.4)$ by laser molecular beam epitaxy on ${\mathrm{NdGaO}}_{3}$ and ${\mathrm{SrTiO}}_{3}$ substrates. X-ray diffraction and high-resolution tr…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Synthesis and optical properties of new polyurethane cationomers with anchored stilbene chromophores

Emil C. Buruianǎ、Tinca Buruianǎ、Georgeta Strat 等 4 位作者2002-04-23Journal of Polymer Science Part A Polymer Chemistry

Abstract An ionic diol bearing a one‐sided urethane‐stilbene group located on the ammonium quaternary structure was prepared and proposed as an intermediate for polyurethane ionomer synthesis. Polyurethane cationomers with stilbene ionic groups based on poly(tetramethylene oxide) diols, 4,4′‐diphenylmethane diisocyana…

Luminescence and Fluorescent MaterialsPhotochromic and Fluorescence ChemistryPolydiacetylene-based materials and applications

The Lacunary Polyoxoanion Synthon α-P2W15O5612-: An Investigation of the Key Variables in Its Synthesis plus Multiple Control Reactions Leading to a Reliable Synthesis

Brooks J. Hornstein、Richard G. Finke2002-04-23Inorganic Chemistry

A reliable way to determine the purity of the kinetically precipitated, noncrystalline lacunary polyoxoanion alpha-P(2)W(15)O(56)(12-) has been developed, namely, the conversion of alpha-P(2)W(15)O(56)(12-) into the tri-Nb(5+)- and V(5+)-containing polyoxoanions P(2)W(15)Nb(3)O(62)(9-) and P(2)W(15)V(3)O(62)(9-), resp…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions

Characterization of the Cross-Linked Structure of Fumarate-Based Degradable Polymer Networks

Mark D. Timmer、Seongbong Jo、Chuanyue Wang 等 5 位作者2002-04-23Macromolecules

A new method was developed to examine networks formed with linear macromers of fumaric acid and diacrylate cross-linking agents in order to analyze their cross-linked structure. This method involved the accelerated degradation of the networks and the analysis of the degradation products. Two model networks of poly(pro…

Advanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and propertiesPolymer composites and self-healing

Contribution of the Multiple Charge-Transfer Chromophore to the Orientation Stability of the Poled Polymer Film

Shaojun Li、Zhou Yang、Peng Wang 等 8 位作者2002-04-23Macromolecules

One of the novel multidimensional charge-transfer (CT) chromophores, 2-[4-(4,5-di(4-nitrophenyl)imidazolyl)phenyl]-4,5-di(4-aminophenyl)imidazole (DNPIPDAPI), was designed and synthesized; the polyimide was formed with it and 2,5-bis(4-aminophenyl)-3,4-diphenylthiophene (TPTDA) (BMI). The thermal and temporal stabilit…

Organic Electronics and PhotovoltaicsNonlinear Optical Materials ResearchAnalytical Chemistry and Sensors

ac transport studies of La-modified antiferroelectric lead zirconate thin films

S. S. N. Bharadwaja、P. Victor、P. Venkateswarulu 等 4 位作者2002-04-23Physical review. B, Condensed matter

In recent times antiferroelectric thin-film material compositions have been identified as one of the most significant thin films for development of devices such as high charge storage, charge couplers/decouplers, and high strain microelectromechanical systems. Thus, understanding the dielectric and electrical properti…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsElectronic and Structural Properties of Oxides

Mixtures of Colloids and Wormlike Micelles: Phase Behavior and Kinetics

George Petekidis、Linda A. Galloway、Stefan U. Egelhaaf 等 5 位作者2002-04-23Langmuir

We have studied equilibrium phase behavior and nonequilibrium particle aggregation in a mixture of charged colloids and ionic wormlike micelles. At high enough concentration of micelles but below the overlap concentration ( c *), separation into coexisting colloidal gas and liquid phases occurred. Beyond c *, we obser…

Material Dynamics and PropertiesSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Dynamics of regioregular conducting polymer electrodes in response to electrochemical stimuli

A. Robert Hillman、Igor Efimov、Magdalena Skompska2002-04-23Faraday Discussions

We report thickness shear mode resonator acoustic wave data for films of regioregular poly(3-hexylthiophene) films exposed to acetonitrile solutions of LiClO4. Both the current- and acoustic wave-responses to constant (or slowly swept) potential show different regimes, whose characteristics, which are quite different…

Conducting polymers and applicationsAnalytical Chemistry and SensorsAdvanced Chemical Sensor Technologies

Effects of Solvents on the Electron Configurations of the Low-Spin Dicyano[meso-tetrakis(2,4,6-triethylphenyl)porphyrinato]iron(III) Complex: Importance of the C−H···N Weak Hydrogen Bonding

Akira Ikezaki、Mikio Nakamura2002-04-23Inorganic Chemistry

There are two types of electron configurations, (d(xy))(2)(d(xz), d(yz))(3) and (d(xz), d(yz))(4)(d(xy))(1), in low-spin iron(III) porphyrin complexes. To reveal the solvent effects on the ground-state electron configurations, we have examined the (13)C- and (1)H-NMR spectra of low-spin dicyano[meso-tetrakis(2,4,6-tri…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Coated Metal: Structure and Properties of Metal-Coating Compositions

Л. И. Тушинский2002-04-23Medical Entomology and Zoology

1 Structure.- 2 Mechanical Properties of Coatings.- 3 Physical Properties of Coatings.- 4 Investigation of Protective Properties.- 5 Determination of Bond Strength Between a Coating and Base Metal.- 6 Wear Resistance of Coated Materials.- 7 Fatigue Failure of the Base Metal-Coating Composition.- 8 Breaking Strength an…

Metal Alloys Wear and PropertiesMaterial Properties and ApplicationsMaterials Engineering and Processing

Interaction of a polycrystalline silver powder with ozone

Geoffrey I. N. Waterhouse、Graham A. Bowmaker、James B. Metson2002-04-23Surface and Interface Analysis

Abstract The interaction of a polycrystalline silver powder with ozone (5 mol.% O 3 in O 2 ) was investigated over the temperature range 300–923 K. Silver powder samples were reacted with ozone for 30 min at specified temperatures in this range. All experiments were performed at atmospheric pressure. Following treatme…

Catalytic Processes in Materials SciencePigment Synthesis and PropertiesLaser-Ablation Synthesis of Nanoparticles

Multistep magnetic switching in single-crystal(001)Co2MnGefilms

Fengyuan Yang、Changhua Shang、C. L. Chien 等 10 位作者2002-04-23Physical review. B, Condensed matter

Multistep magnetic switching with single, double, and triple loops has been observed in single-crystal (001) ${\mathrm{Co}}_{2}\mathrm{MnGe}$ Heusler alloy films epitaxially grown on GaAs (001) substrates due to a combined magnetic anisotropy consisting of cubic magnetocrystalline anisotropy and uniaxial anisotropy. T…

Magnetic properties of thin filmsMagnetic Properties and ApplicationsHeusler alloys: electronic and magnetic properties