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Assessing the zero‐field splitting in magnetic molecules by wave function‐based methods

Coen de Graaf、Carmen Sousa2006-01-01International Journal of Quantum Chemistry

Abstract The effect of spin‐orbit coupling is assessed through the spin‐orbit state interaction method. This method involves a two‐step procedure to include both dynamical electron correlation effects and spin‐orbit effects on the relative energies of the low‐lying electronic states. Accurate energies of the spin free…

Advanced Chemical Physics StudiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Sol-gel preparation of AlPO4–SiO2 glasses with high surface mesoporous structure

Carla C. de Araújo、Long Zhang、Hellmut Eckert2006-01-01Journal of Materials Chemistry

Transparent and colorless amorphous silica–aluminum phosphate gels and glasses along the composition line, xAlPO4–(1−x)SiO2 were prepared via the sol-gel route using tetraethylorthosilicate (TEOS), aluminum lactate, and ammonium dihydrogen phosphate as precursors. The glass-forming range was significantly extended, co…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsAerogels and thermal insulation

Hygrothermal Effects on Interfacial Stress Transfer Characteristics of Carbon Nanotubes-reinforced Composites System

Y. C. Zhang、X. Wang2006-01-01Journal of Reinforced Plastics and Composites

On the basis of the existence of strong bonding between carbon nanotubes (CNTs) and polymer matrix, and considering the axial and radial thermal expansion coefficients of CNTs as nonlinear functions of temperature changes, this article presents an analytical method to investigate hygrothermal effects on the interfacia…

Carbon Nanotubes in CompositesMechanical Behavior of CompositesTribology and Wear Analysis

Half-Metallic Properties and Stability of Ferromagnetic State in the Full-Heusler Alloys (Fe<I><SUB>x</SUB></I>Ru<SUB>1&minus;<I>x</I></SUB>)<SUB>2</SUB>CrSi (0&le;<I>x</I>&le;1)

Sou Mizutani、Shoji Ishida、Sinpei Fujii 等 4 位作者2006-01-01MATERIALS TRANSACTIONS

We investigate the half-metallic properties and the stability of the ferromagnetic state in the alloys (FexRu1−x)2CrSi (0≤x≤1) with orderly and disorderly atomic arrangement based on the Heusler structure. It is predicted from the electronic structures that the ordered alloys are half-metals in the range of 1⁄3<x<3⁄4…

Advanced Welding Techniques AnalysisMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties

Porphyrin dimers bridged by a platinum–diacetylide unit

Yi‐Jen Chen、Szu-Shuo Chen、Shang-Shih Lo 等 8 位作者2006-01-01Chemical Communications

A series of butadiyne- and platinum diacetylide-bridged conjugated porphyrin dimers have been prepared; electrochemical and UV-vis absorption measurements on these compounds show that the butadiyne-bridge confers stronger porphyrin-porphyrin conjugation than the platinum diacetylide-bridge.

Molecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine Chemistry

Microrod and Microtube Formation by Electrodeposition of Metal into Ordered Macropores Prepared in p-Type Silicon

Katsutoshi Kobayashi、Farid A. Harraz、Shinichi Izuo 等 5 位作者2006-01-01Journal of The Electrochemical Society

Copper and nickel electrodeposition into ordered macropores prepared in p-type silicon has been studied in aqueous solutions containing cupric and nickel ions, respectively. When a macroporous silicon template was cathodically polarized in 0.1 M cupric sulfate solution, copper was deposited preferentially at the pore…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsAnodic Oxide Films and Nanostructures

Thermal Conductivity Measurement of Tungsten Oxide Nanoscale Thin Films

Haitao Wang、Yibin Xu、Masahiro Goto 等 7 位作者2006-01-01MATERIALS TRANSACTIONS

The out-of-plane thermal conductivity of sputtered tungsten oxide thin films with thickness of 100 to 300 nm was measured by two omega method based on a new analytical model with consideration of the interfacial thermal resistance between the films and the substrate. The influence of the tungsten oxide structure on th…

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsThermal Expansion and Ionic Conductivity

ATP-loaded immunoliposomes specific for cardiac myosin provide improved protection of the mechanical functions of myocardium from global ischemia in an isolated rat heart model

Daya D. Verma、Tatyana Levchenko、Eugene A. Bernstein 等 5 位作者2006-01-01Journal of drug targeting

Earlier demonstrated cardio-protection by ATP-loaded liposomes (ATP-L) was further improved by attachment of cardiac myosin-specific monoclonal 2G4 antibody onto the surface of ATP-L. ATP-IL were infused for 1 min duration before starting the global ischemia for 25 min followed by reperfusion for 30 min in an isolated…

Nanoparticle-Based Drug DeliveryElectrospun Nanofibers in Biomedical ApplicationsElasticity and Material Modeling

Thermal history of a low alkali borosilicate glass probed by infrared and Raman spectroscopy

Doris Möncke、D. Ehrt、Christos-Platon E. Varsamis 等 5 位作者2006-01-01National Hellenic Research Foundation Helios Repository (National Hellenic Research Foundation)

Journal URL: http://www.ingentaconnect.com/content/sgt/gt; http://www.societyofglasstechnology.org.uk/cgi-bin/open.cgi?page=journal&amp;sessionid=85597106; http://www.societyofglasstechnology.org.uk/cgi-bin/open.cgi?page=GlassTech/GT-00&amp;sessionid=85597106

Advanced ceramic materials synthesisGlass properties and applicationsRecycling and utilization of industrial and municipal waste in materials production

Segmented shape memory polyurethane and its water vapor transport properties

Subrata Mondal、Jinlian Hu2006-01-01Designed Monomers & Polymers

An attempt has been made to review the influences of different structural factors on physical and water vapor transport properties of segmented shape memory polyurethane (SPU) for breathable textile, biomedical and many other industrial applications. The differences between ordinary, segmented and segmented shape memo…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsPolymer composites and self-healing

Completely miscible disc and rod shaped molecules in the nematic phase

Daniela Apreutesei、Georg H. Mehl2006-01-01Chemical Communications

Disc and rod shaped molecules which are completely miscible in the nematic phase were synthesised and the miscibility behaviour was investigated and confirmed by POM, DSC and XRD studies.

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsSurfactants and Colloidal Systems

Identifying magnetic response of split-ring resonators at microwave frequencies

Koray Aydın、Ekmel Özbay2006-01-01Opto-Electronics Review

Abstract In this study we provide experimental methods to identify the magnetic resonance of split ring resonantors (SRR) at the microwave frequency regime. Transmission measurements were performed on both single SRR unit cell and periodic arrays of SRRs. The magnetic response of the SRR structure was demonstrated by…

Metamaterials and Metasurfaces ApplicationsPhotonic Crystals and ApplicationsAdvanced Antenna and Metasurface Technologies

The first pamidronate containing polymer and copolymer

Ling Wang、Min Zhang、Zhimou Yang 等 4 位作者2006-01-01Chemical Communications

Here we report the synthesis, characterization and hydrogelation of polymers consisting of pamidronate, a useful therapeutic agent.

Porphyrin and Phthalocyanine ChemistrySupramolecular Self-Assembly in MaterialsPhotochromic and Fluorescence Chemistry

Conjugating self-assembling rigid rings to flexible polymer coils for the design of organic nanotubes

Julien Couet、Markus Biesalski2006-01-01Soft Matter

Supramolecular polymer-hybrid nanotubes have recently emerged the self-assembly of coil-ring-coil block-copolymers and the surface-initiated polymerization from self-assembled peptide nanotubes. The article describes recent developments in designing functional organic nanotubes.

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Spin transition in a triazine-based Fe( ii ) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies

Manuel Quesada、M. Monrabal、Guillem Aromı́ 等 11 位作者2006-01-01Journal of Materials Chemistry

The crystal structure of a new monomeric Fe(II) spin-crossover thiocyanate complex with a polypyridyl triazine-based ligand is reported at three temperatures. Spectroscopic, thermal and magnetic studies are presented that allowed the characterization of the thermal spin-crossover experienced by this compound and its c…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Origin of the amplified spontaneous emission from thiophene/phenylene co-oligomer single crystals: Towards co-oligomer lasers

Kazuki Bando、Toshiteru Nakamura、Yasuaki Masumoto 等 6 位作者2006-01-01Journal of Applied Physics

Photoluminescence (PL) and optical gain measurements have been performed for single crystals of thiophene/phenylene co-oligomer at room and low temperatures. Broad PL bands are transformed to be an ensemble of several spectrally narrower vibronic peaks with decreasing temperature. Very sharp lines as narrow as ∼3meV a…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

Microstructure Evolution during the Solidification of Steel

D. M. Stefanescu2006-01-01ISIJ International

In today's material world it is agreed that a complete understanding of the solidification path and of the resulting microstructure can only be obtained by treating the alloys as mathematical systems, followed by validation of the models through definitive experiments. This paper will attempt to review the main recent…

Microstructure and Mechanical Properties of SteelsSolidification and crystal growth phenomenaMetallurgical Processes and Thermodynamics

Synthesis and structural characterization of lanthanide( iii ) nitrate complexes of a tetraiminodiphenol macrocycle in the solid state and in solution

Pradip Bag、Ülrich Flörke、K. Nag2006-01-01Dalton Transactions

The lanthanide(III) complexes [Ln(LH2)(NO3)3] 1-11(La-Er), 15(Y) and [Ln(LH2)(NO3)2(H2O)](NO3) 12-14 (Tm-Lu) of the tetraiminodiphenolate macrocycle L2- have been prepared by the transmetallation reaction between [Pb(LH2)(NO3)2] and Ln(NO3)3.nH2O. In these compounds, the uncoordinated imino nitrogens are protonated an…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4

Jianjun Liu、Qingfeng Ge2006-01-01Chemical Communications

The structure of a TiAl3Hx complex for the formation of a TiAl3 binary phase that could play important roles in the reversible de-/hydrogenation of Ti-doped NaAlH4 has been identified on the basis of first principles density functional theory studies.

Hydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionSuperconductivity in MgB2 and Alloys

A Review of Image Analysis Based Methods to Evaluate Fiber Properties

Ulrich Hirn、Wolfgang Bauer2006-01-01OpenAlex

This review focuses on fiber analysis methods, where the fibers are carried in suspension. They are photographed in a flow cell and their properties are evaluated by digital image analysis. Three fields of fiber analysis are covered: Fiber morphology, pulp surface chemistry, and chemically induced swelling respectivel…

Advanced Cellulose Research StudiesLignin and Wood ChemistryMaterial Properties and Processing