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About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error

Eliseo Ruíz、Santiago Álvarez、Joan Cano 等 4 位作者2005-10-22OpenAlex

The effect of the correction of the self-interaction error on the calculation of exchange coupling constants with methods based on density-functional theory has been tested in simple model systems. The inclusion of the self-interaction correction cancels the nondynamical correlation energy contributions simulated by t…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Biomimetic Anchor for Surface-Initiated Polymerization from Metal Substrates

Xiaowu Fan、Lijun Lin、Jeffrey L. Dalsin 等 4 位作者2005-10-22OpenAlex

In this paper, we demonstrate the first use of a catecholic initiator for surface-initiated polymerization (SIP) from metal surfaces to create antifouling polymer coatings. A new bifunctional initiator inspired by mussel adhesive proteins was synthesized, which strongly adsorbs to Ti and 316L stainless steel (SS) subs…

Surface Modification and SuperhydrophobicityPolymer Surface Interaction StudiesMarine Biology and Environmental Chemistry

Mechanism of Silver(I)-Assisted Growth of Gold Nanorods and Bipyramids

Mingzhao Liu、Philippe Guyot‐Sionnest2005-10-22OpenAlex

The seed-mediated growth of gold nanostructures is shown to be strongly dependent on the gold seed nanocrystal structure. The gold seed solutions can be prepared such that the seeds are either single crystalline or multiply twinned. With added silver(I) in the cetyltrimethylammonium bromide (CTAB) aqueous growth solut…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications

Reexamination of the Helfrich-Hurault effect in smectic-Aliquid crystals

G. Bevilacqua、Gaetano Napoli2005-10-21Physical Review E

The Helfrich-Hurault effect is a phase transition that occurs in samples of cholesteric or smectic liquid crystals subject to external electric or magnetic fields. In this paper we analyze the Helfrich-Hurault effect of smectic-A liquid crystals in an electrostatic field taking into account the complete electromechani…

Liquid Crystal Research AdvancementsPlant Reproductive BiologyMolecular spectroscopy and chirality

Origin of non-Arrhenius conductivity in fast ion conducting glasses

Sevi Murugavel2005-10-21Physical Review B

We report the results of ac conductivity measurements on silver halide silver oxysalt glasses. Like Kincs and Martin [Phys. Rev. Lett. 76, 70 (1996)], we find that these glasses exhibit non-Arrhenius behavior in the dc conductivity, which depends strongly on the silver halide content and on the type of the halide anio…

Glass properties and applicationsPhase-change materials and chalcogenidesSolid-state spectroscopy and crystallography

Crosslinkable Vesicles Self‐Assembled by Amphiphilic Hyperbranched Polyester

Jianhua Zou、Xiaodong Ye、Wenfang Shi2005-10-21Macromolecular Rapid Communications

Abstract Summary: Amphiphilic hyperbranched polyester (H20‐AM) with methacrylate end groups was synthesized based on hyperbranched aliphatic polyester (Boltorn™ H20). Narrow‐dispersed crosslinkable vesicles were obtained by dissolving H20‐AM in water, and characterized by laser light scattering and TEM. The hollow str…

Advanced Polymer Synthesis and CharacterizationLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Multicyclic polyethers with pendant keto groups by polycondensation of silylated 1,1,1‐tris(4‐hydroxyphenyl)ethane

Hans R. Kricheldorf、Lali Vakhtangishvili、Gert Schwarz 等 4 位作者2005-10-21Journal of Polymer Science Part A Polymer Chemistry

Abstract 1,1,1‐Tris(4‐trimethylsiloxyphenyl)ethane, (silylated THPE), was polycondensed with 2,4‐difluoroacetophenone and 2,4‐difluorobenzophenone. All polycondensations were performed in N ‐methylpyrrolidone with K 2 CO 3 as promotor. The feed ratio THPE/difluoroaromat was varied from 1.0:1.3 to 1.0:1.5. Instead of h…

Synthetic Organic Chemistry MethodsDendrimers and Hyperbranched PolymersSynthesis and properties of polymers

In Situ S K-Edge X-ray Absorption Spectroscopy for Understanding and Developing SOx Storage Catalysts

Hendrik Dathe、Andreas Jentys、Johannes A. Lercher2005-10-21The Journal of Physical Chemistry B

In situ S K-edge XANES experiments were carried out on second-generation SO(x)() trapping materials under oxidizing and reducing conditions. The experiments clearly show that the strong release of SO(2) under rich conditions at plug flow conditions is caused by the facilitated reduction of sulfite species on Pt. In th…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceChalcogenide Semiconductor Thin Films

On dimensions of multitype Moran sets

Qinghui Liu、Zhi‐Ying Wen2005-10-21Mathematical Proceedings of the Cambridge Philosophical Society

Multitype Moran sets are introduced in this paper. They appear naturally in the study of the structure of the quasi-crystal spectrum, and they generalize some known fractal structures such as self-similar sets, graph-direct sets and Moran sets. It is known that for any Moran set E with a bounded condition on contracti…

Mathematical Dynamics and FractalsQuasicrystal Structures and Properties

Dynamics of glass-forming liquids. X. Dielectric relaxation of 3-bromopentane as molecular probes in 3-methylpentane

Wei Huang、Shervin Shahriari、Ranko Richert2005-10-21The Journal of Chemical Physics

The glass-forming liquids 3-bromopentane (3BP) and 3-methylpentane (3MP) are readily miscible across the entire composition range, although their polarities differ considerably. As noted by Berberian [J. Non-Cryst. Solids 131-133, 48 (1991)], the nearly matching molar volumes makes this binary system appear ideal for…

Material Dynamics and PropertiesGlass properties and applicationsThermodynamic properties of mixtures

Novel Soft Chemical Method for Optically Transparent Ru(bpy)3-K4Nb6O17 Thin Film

Zhiwei Tong、Shinsuke Takagi、Hiroshi Tachibana 等 5 位作者2005-10-21The Journal of Physical Chemistry B

A unique guest-guest ion exchange method was developed for preparing a thin film of a nano-layered K(4)Nb(6)O(17).3H(2)O that possesses both (1) optical transparency and (2) ion-exchangeability under ambient conditions without calcination at high temperature. An optically transparent Ru(bpy)(3)(2+)-K(4)Nb(6)O(17) hybr…

Luminescence Properties of Advanced MaterialsPolyoxometalates: Synthesis and ApplicationsLayered Double Hydroxides Synthesis and Applications

Optically uniaxial left-handed materials

Nian‐Hai Shen、Qin Wang、Jing Chen 等 8 位作者2005-10-21Physical Review B

We focus on a basic issue regarding optically uniaxial left-handed materials of lossless. We give the necessary and sufficient conditions for the optically uniaxial generalized left-handed materials in a nondissipative limit, based on the optic axis concept in crystal optics. The results show that the normal surface o…

Metamaterials and Metasurfaces ApplicationsOrbital Angular Momentum in OpticsQuantum Mechanics and Non-Hermitian Physics

Nanostructured Non-oxide Ceramics Templated via Block Copolymer Self-Assembly

Julin Wan、Azar Alizadeh、Seth T. Taylor 等 6 位作者2005-10-21Chemistry of Materials

Self-assembly of block copolymer is used as the template to form nanoscale ordered structure of a polymeric ceramic precursor. The self-assembly is subsequently pyrolyzed to form Si−C−N ceramic with nanoscale structure bearing local order.

Mesoporous Materials and CatalysisCovalent Organic Framework ApplicationsNanomaterials for catalytic reactions

Characterization of pegylated copolymeric micelles and in vivo pharmacokinetics and biodistribution studies

Lu‐Yin Lin、Yi‐Chen Chen、Chi‐Chang Lin 等 5 位作者2005-10-21Journal of Biomedical Materials Research Part B Applied Biomaterials

The aim of this study was to evaluate the influence of pegylated copolymeric micelle carrier on the biodistribution of drug in rats. The copolymers were synthesized via a modified ring-opening copolymerization of lactone monomers (epsilon-caprolactone, delta-valerolactone, L-lactide) and poly(ethylene glycol) (PEG(10,…

Nanoparticle-Based Drug DeliveryAdvanced Polymer Synthesis and CharacterizationAdvanced Drug Delivery Systems

Self-Assembly of a Nonanuclear Nickel(II) Complex and Its Magnetic Properties

Sumit Khanra、Thomas Weyhermüller、Eva Rentschler 等 4 位作者2005-10-21Inorganic Chemistry

A nonanuclear nickel(II) complex [Ni9(PyA)(10)(mu3-OH)2(mu2-OH)2(mu2-OH2)2(H2O)6](ClO4)4.12H2O, containing pyridine-2-aldoximato monoanion, PyA, has been structurally and magnetochemically characterized. The nickel(II) ions, linked together via several bi- or trifurcated oximato, hydroxo, and water bridges, are antife…

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

A Novel Open-Framework Copper Borophosphate: Cu(H2O)2[B2P2O8(OH)2]

Hengzhen Shi、Min Li、Hejin Tangbo 等 6 位作者2005-10-21Inorganic Chemistry

A new open-framework copper borophosphate was hydrothermally synthesized and structurally characterized. Its structure may be regarded as a layer forming via vertex-sharing BO3(OH) and PO4 tetrahedra bonded together with CuO2(OH)2(H2O)2 octahedral units. The thermal stability and magnetic properties are also discussed.

Zeolite Catalysis and SynthesisCrystal Structures and PropertiesAdvanced Condensed Matter Physics

Lamellar Liquid Single Crystal Hydrogels: Synthesis and Investigation of Anisotropic Water Diffusion and Swelling

Felix Kleinschmidt、Markus Hickl、Kay Saalwächter 等 5 位作者2005-10-21Macromolecules

The synthesis and characterization of anisotropic liquid single crystal hydrogels (LSCHs) via photoinduced radical polymerization of magnetically aligned samples in the lyotropic mesophase are reported, which are stable against tensile stresses in all three dimensions. The hydrogels exhibit a lamellar phase (L α ) in…

Liquid Crystal Research AdvancementsAdvanced Neuroimaging Techniques and ApplicationsPickering emulsions and particle stabilization

Structural, luminescence, and electronic properties of the alkaline metal-strontium cyclotetravanadatesM2Sr(VO3)4, (M=Na, K, Rb, Cs)

B. V. Slobodin、Ludmila L. Surat、В. Г. Зубков 等 14 位作者2005-10-21Physical Review B

Structural, luminescence, and electronic properties of the family of alkaline metal-strontium cyclotetravanadates ${M}_{2}\mathrm{Sr}{(\mathrm{V}{\mathrm{O}}_{3})}_{4}$, $M=\mathrm{Na}$, K, Rb, and Cs have been characterized by means of elemental analyses, x-ray powder diffraction, neutron diffraction, electron diffra…

Crystal Structures and PropertiesPolyoxometalates: Synthesis and ApplicationsAdvanced Condensed Matter Physics

Photopolymerization of Reactive Mesogens

Heiko Thiem、Peter Strohriegl、Maxim Shkunov 等 4 位作者2005-10-21Macromolecular Chemistry and Physics

Abstract Summary: The photopolymerization of two reactive mesogens with photopolymerizable acrylate endgroups, the methyl substituted 1,4‐phenylene‐bis{4‐[6‐(acryloyloxy)hexyloxy]benzoate} 1 and acrylic acid 6‐{4‐[6‐(6‐acryloyloxyhexyloxy)naphthalen‐2‐yl]‐phenoxy}hexyl ester 2 has been investigated using Photo‐DSC mea…

Liquid Crystal Research AdvancementsPhotochromic and Fluorescence ChemistryPhotopolymerization techniques and applications

Practical Route to Relative Diffusion Coefficients and Electronic Relaxation Rates of Paramagnetic Metal Complexes in Solution by Model-Independent Outer-Sphere NMRD. Potentiality for MRI Contrast Agents

Pascal H. Fries、Christelle Gateau、Marinella Mazzanti2005-10-21Journal of the American Chemical Society

The relaxation of electronic spins S of paramagnetic species is studied by the field-dependence of the longitudinal, transverse, and longitudinal in the rotating frame relaxation rates R1, R2, and R1rho of nuclear spins I carried by dissolved probe solutes. The method rests on the model-independent low-frequency dispe…

Advanced MRI Techniques and ApplicationsLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications