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DFT Study on Second-order Nonlinear Optical Properties of a Series of Three-dimensional Cobalt(II) Metal Complexes

Yewei Qiu、Cun‐Zhi Liu、H CHEN 等 6 位作者2006-07-01Acta Physico-Chimica Sinica

For designing three-dimensional cobalt(II) metal complexes and Schiff base ligands, the geometry was taken from the starting structures based on the crystallographic data. The density functional theory (DFT) B3LYP/6-31g(d)-FF method was used to calculate the second-order nonlinear optical (NLO) properties of open-shel…

Metal complexes synthesis and propertiesPorphyrin and Phthalocyanine ChemistryNonlinear Optical Materials Research

Trinuclear Complexes Containing Incomplete Cubane CoIII3O4 Cores. Structures of the Isomers of the N -(2-Pyridylmethyl)glycinato Complex

Tomoharu Ama、Toshiaki Yonemura、Masayoshi Yamaguchi2006-07-01Bulletin of the Chemical Society of Japan

Abstract Two isomers of N-(2-pyridylmethyl)glycinatocobalt(III) complexes containing incomplete cubane Co3O4 cores, [Co3(pg)3(μ3-O)(μ-OH)3]+, were isolated and their structures were determined by the X-ray diffraction method. While the trinuclear structure of one of the two isomers was stabilized by three inter-ligand…

Porphyrin and Phthalocyanine ChemistryFluorine in Organic Chemistry

De-esterification and sulfonation in spruce CTMP: Effects on pulp and paper properties

Jonas Konn、Lari Vähäsalo、Andrey Pranovich 等 4 位作者2006-07-01Holzforschung

Abstract De-esterification and sulfonation reactions, which create new anionic groups in the middle lamella and primary wall layers, are the key chemical reactions in chemithermomechanical pulping. The effects of these reactions on the resulting fibre dimensions, refining energy demand, hand-sheet bulk and strength pr…

Natural Fiber Reinforced CompositesAdvanced Cellulose Research StudiesLignin and Wood Chemistry

The effect of fullerene on the temporal characteristics of a nematic liquid crystal-polyaniline-fullerene C60 system

Yu. А. Zubtsova、Н. В. Каманина2006-07-01Technical Physics Letters

The temporal characteristics of a nematic liquid crystal-polyaniline-fullerene (NLC-PANI-C 60 ) system have been studied with a view to the new field of application of PANI-containing structures: display and optoelectronic technologies. It is shown that the complexation between PANI and fullerene stimulates a transiti…

Liquid Crystal Research AdvancementsFullerene Chemistry and ApplicationsNonlinear Optical Materials Studies

On the High Pure Alumina Composite Powder for Sintering at 1400°C, A Preliminary Investigation

Pei Ching Yu、Fu Su Yen2006-07-01Key engineering materials

Pure alumina composite powders for low-temperature sintering purpose are examined. θ- and α- phase alumina particles with crystallite sizes 20 to 50 nm and 50 to 200 nm, respectively were mixed in an appropriate ratio. The composite powder can be easily sintered at temperatures as low as 1400oC, preparing high density…

Advanced ceramic materials synthesisThermal properties of materialsSynthesis and properties of polymers

Mechanism of a Solid-State Formation of La<sub>1-x</sub>Sr<sub>x</sub>MnO<sub>3+δ</sub> (0 < x < 0.5) and Magnetic Characterization thereof

Vuk Uskoković、Miha Drofenik2006-07-01Materials science forum

Investigations of the influence of synthesis procedures and LaSr-manganite stoichiometries on the Curie point and other magnetic characteristics of the material, being the topic of this work, are attractive since they present a necessary primal step in the intended development of nano-magnetic drug carriers based on t…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsMagnetic Properties of Alloys

Defects in calcium tungstate crystals

A. A. Blistanov、K. V. Zakutaĭlov、Mikhail Ivanov 等 7 位作者2006-07-01Crystallography Reports

The role of defects formed owing to the deviations from stoichiometry is analyzed for CaWO 4 single crystals grown by the Czochralski method. It is shown that the defects leading to the light scattering in CaWO 4 crystals affect the spectra of X-ray luminescence and the luminescence kinetics only slightly, but give ri…

Luminescence Properties of Advanced MaterialsSolid-state spectroscopy and crystallographyOptical and Acousto-Optic Technologies

The Properties of Dangling Chain-Networks Prepared by Cyclotrimerisation of Telechelic Diisocyanates

Jaroslava Budìnski‐Simendìć、Miléna Špírková、Karel Dušek 等 8 位作者2006-07-01Materials science forum

Here, as part of our experimental investigations dealing with poly(urethane-isocyanurate) networks, we investigate model irregular networks with increasing amount of dangling chains. In our study such an irregular network topology was obtained by partial substitution of a diol for a monohydroxy component during the pr…

Advanced Polymer Synthesis and CharacterizationSurfactants and Colloidal SystemsPolymer composites and self-healing

A domain evolution model for hysteresis in piezoceramic materials

Xia Lu、Sathya Hanagud2006-07-01IEEE Transactions on Ultrasonics Ferroelectrics and Frequency Control

In this paper, we use a circular distribution to quantify certain domain properties and model the hysteresis behavior of piezoceramic materials. The model is constructed by bridging the characteristics of microscopic domain distribution into the macroscopic (or bulk) behavior. Contributions, other than those associate…

Composite Structure Analysis and OptimizationMagnetic Properties and ApplicationsPiezoelectric Actuators and Control

Surface and Substrate Effects on the Ferroelectric Properties of PbTiO3Ultrathin Films

M. Sepliarsky、M. G. Stachiotti、R. L. Migoni2006-07-01Ferroelectrics

The effects of the antiferrodistortive surface reconstruction and the interface with a SrTiO 3 substrate on the ferroelectric properties of PbTiO 3 ultrathin films are investigated using an interatomic potential approach with parameters determined from first-principles results. First we show that a shell model develop…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesElectronic and Structural Properties of Oxides

Ultrasonic and Dielectric Investigation of the (Sr, Pb) TiO3–SPT Ferroelectric Ceramics

T. T. A. Faria、L. A. Báassora、D. Garcia 等 4 位作者2006-07-01Ferroelectrics

Ferroelectric materials have been extensively studied through their optical and dielectric properties. However, there are no many reports concerning simultaneously elastic and dielectric characterization. In this work, ferroelectric ceramics of SPT (x = 0.25) have been investigated by the ultrasonic pulse echo techniq…

Ferroelectric and Piezoelectric MaterialsUltrasonics and Acoustic Wave PropagationAcoustic Wave Resonator Technologies

Microscopic structures of the B7phase: AFM and electron microscopy studies

Alexey Eremin、Lama Naji、Alexandru Nemeş 等 6 位作者2006-07-01Liquid Crystals

A wide variety of morphologies, such as screw‐like filaments, ribbons, etc., have been observed in polarizing microscopy studies of the B7 phase in a melt or with free surface. In this paper, we present the results of AFM and scanning electron microscopy measurements of structures formed by a columnar‐type B7 phase. T…

Liquid Crystal Research AdvancementsAdvanced Cellulose Research StudiesAdvanced Materials and Mechanics

Electrical Properties of Low-Fire Ferroelectric+Ferrimagnetic Ceramic Composite

Rung‐Tsung Hsu、Te‐Ming Peng、Jau‐Ho Jean2006-07-01Japanese Journal of Applied Physics

A low-fire, densified ferroelectric+ferrimagnetic ceramic composite consisting of Pb(Ni 1/3 Nb 2/3 )O 3 –PbZrO 3 –PbTiO 3 (PNZT) and Ni–Cu–Zn ferrite powders is prepared at temperatures below 900 °C. The low-fire densification behavior is attributed to the migration of PbO from PNZT into Ni–Cu–Zn ferrite, enhancing th…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMagnetic Properties and Applications

The crystal structure of piergorite-(Ce), Ca8Ce2(Al0.5 Fe0.53+) 1( ,Li,Be)2Si6B8O36(OH,F)2: A new borosilicate from Vetralla, Italy, with a modified hellandite-type chain

Massimo Boiocchi2006-07-01American Mineralogist

Piergorite-(Ce) is a new mineral found at Tre Croci, Vetralla, Italy with simplified formula Ca 8 Ce 2 (Al 0.5 Fe 3+ 0.5 ) Σ1 (□,Li,Be) 2 Si 6 B 8 O 36 (OH,F) 2 . It occurs as strong intergrowths of small crystals, colorless to pale yellow, associated with sanidine, mica, magnetite, rutile, titanite, and other Th-U-RE…

Crystal Structures and PropertiesAdvanced Condensed Matter PhysicsNuclear materials and radiation effects

Far-Infrared Spectroscopy of Interlayer Vibrations of Cu(II), Mg(II), Zn(II), and Al(III) Intercalated Muscovite

Frank Friedrich、Biliana Gasharova、Yves‐Laurent Mathis 等 5 位作者2006-07-01Applied Spectroscopy

In this study the intercalation behavior of di- and trivalent cations like Cu(II), Mg(II), Zn(II), and Al(III) into the interlayers of muscovite was investigated by X-ray diffraction and far-infrared spectroscopy. The X-ray diffractometry shows that the original material is a muscovite 2M(1). During the metal cation t…

Crystal Structures and PropertiesClay minerals and soil interactionsLayered Double Hydroxides Synthesis and Applications

Hydrogel microcapsules containing natural or chemically modified oligochitosan - mechanical properties and porosity

Artur Bartkowiak、WOJCIECH BRYLAK2006-07-01Polimery

Attempt has been made to determine the effect of the concentration of the solutions of anionic polysaccharides and cationic oligochitosans (modified or not) on some properties of the systems obtained. They were either binary microspheres: sodium alginate/Ca+2 cation or ternary ones: sodium alginate/Ca+2 cation/oligoch…

Hydrogels: synthesis, properties, applicationsNanocomposite Films for Food Packagingbiodegradable polymer synthesis and properties

Wavelet Packet Transform Based Protection of Three-Phase IPM Motor

M. A. S. K. Khan、T.S. Radwan、Mohammad Azizur Rahman2006-07-01OpenAlex

This paper presents a wavelet packet transform (WPT) based on-line technique for the protection of three-phase interior permanent magnet (IPM) motor. A wavelet packet transform based algorithm for the protection of an IPM motor is developed, implemented, and tested on-line using the DS1102 digital signal processor boa…

Machine Fault Diagnosis TechniquesElectric Motor Design and AnalysisMagnetic Properties and Applications

Synergistically modified unsaturated polyester resin with polyester urethane and montmorillonite: microstructure and properties

Cai Wang、Zelin Pan、Linwen Zhang 等 5 位作者2006-07-01Polymers for Advanced Technologies

Abstract Microstructure, reacting degree and main properties of synergistically modified unsaturated polyester resin (UPR) with polyester urethane (PU) and organically‐modified montmorillonite (OMT) are studied in this paper by scanning electron microscopy (SEM), X‐ray diffraction (XRD), FT‐IR, contact angle and mecha…

Polymer Nanocomposites and PropertiesNatural Fiber Reinforced CompositesPolymer composites and self-healing

Mechanistic modelling of pilling. Part I: Detailing of mechanisms

J. W. S. Hearle、Andrew Wilkins2006-07-01Journal of the Textile Institute

Mechanistic models of pilling are discussed in general terms, and a framework for pilling simulations is thereby created. A fundamental flaw in earlier models of pilling is revealed. A more comprehensive model of fibre diffusion and withdrawal from the fabric is proposed, and this is solved in general terms to find th…

Rheology and Fluid Dynamics StudiesTextile materials and evaluationsMaterial Properties and Processing

Model Prediction of Thermodynamics Activity in Multicomponent Liquid Alloy

Tong Xiang Fan、Guang Jun Yang、Jian Qi Chen 等 4 位作者2006-07-01Key engineering materials

This work presents a thermodynamic model to theoretically predict the component activity in multicomponent liquid alloy based on the Wilson equation and an extended Miedema model. Using only the physical parameters of pure metals, the component activities can be theoretically calculated and the calculation results agr…

Metallurgical Processes and ThermodynamicsAdvanced Materials Characterization TechniquesMetallurgical and Alloy Processes