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Density Functional Theory of Magnetic Systems Revisited

H. Eschrig、W. E. Pickett2000-09-28arXiv

The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is obtained: in certain cases (which include half metallic ferromagnets and magnetic in…

Materials ScienceStrongly Correlated Electrons

Nothing moves a surface: vacancy mediated surface diffusion

R. van Gastel、E. Somfai、S. B. van Albada 等 5 位作者2000-09-28arXiv

We report scanning tunneling microscopy observations, which imply that all atoms in a close-packed copper surface move frequently, even at room temperature. Using a low density of embedded indium `tracer' atoms, we visualize the diffusive motion of surface atoms. Surprisingly, the indium atoms seem to make concerted,…

Materials Sciencecond-mat.stat-mech

Chemistry and Physics of Supramolecular Magnetic Materials

Olivier Kahn2000-09-28OpenAlex

The building of multidimensional magnetic materials obtained with the molecular precursor [Cu(opba)](2-) is described. The reaction with other paramagnetic species (3d or 4f metal ions, organic radicals) yielded one-dimensional, two-dimensional, and interlocked networks. The magnetic properties of these systems are re…

Advanced NMR Techniques and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Aluminum Tris(2,6-diphenylphenoxide)-ArCOCl Complex for Nucleophilic Dearomatic Functionalization

Susumu Saito、Toshihiko Sone、Masaaki Murase 等 4 位作者2000-09-27Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTAluminum Tris(2,6-diphenylphenoxide)-ArCOCl Complex for Nucleophilic Dearomatic FunctionalizationSusumu Saito, Toshihiko Sone, Masaaki Murase, and Hisashi YamamotoView Author Information Graduate School of Engineering, Nagoya University CREST, Japan Science and Technol…

Catalytic Cross-Coupling ReactionsPolyoxometalates: Synthesis and ApplicationsAsymmetric Synthesis and Catalysis

Finite-element modeling of phase transformation in shape memory alloy wires with variable material properties

J J Amalraj、Abhijit Bhattacharyya、J J Amalraj 等 4 位作者2000-09-27Smart Materials and Structures

In this paper, we address the issue of modeling the temperature distribution in a shape memory alloy (SMA) wire with variable thermal and electrical properties. This is done in the context of a one-dimensional (1D) boundary value problem where an initially martensitic SMA wire is electrically heated under zero-stress…

Shape Memory Alloy Transformations

Electroactive Metallomacromolecules via Tetrabis(2,2‘:6‘,2‘ ‘-terpyridine)ruthenium(II) Complexes: Dendritic Nanonetworks toward Constitutional Isomers and Neutral Species without External Counterions

George R. Newkome、Enfei He、Luis A. Godı́nez 等 4 位作者2000-09-27Journal of the American Chemical Society

The concept of dendritic networks via four bis(2,2‘:6‘,2‘ ‘-terpyridine)ruthenium(II) connectivities was utilized to create “dendritic methane”-type metallomacromolecules. In addition, two structurally isomeric metallodendrimers ( 16 and 17 ) were designed, synthesized, and characterized. These two isomers were spectr…

Conducting polymers and applicationsMetal-Organic Frameworks: Synthesis and ApplicationsDendrimers and Hyperbranched Polymers

[GdPCP2A(H2O)2]-: A Paramagnetic Contrast Agent Designed for Improved Applications in Magnetic Resonance Imaging

Silvio Aime、Mauro Botta、Luca Frullano 等 9 位作者2000-09-27Journal of Medicinal Chemistry

A novel ligand based on a pyridine-containing macrocycle bearing two acetic and one methylenephosphonic arms (PCP2A) has been synthesized. An efficient synthesis of PCP2A is based on the macrocyclization reaction between 2,6-bis(chloromethyl)pyridine and a 1,4, 7-triazaheptane derivative bearing a methylenephosphonate…

Lanthanide and Transition Metal ComplexesMagnetism in coordination complexesAdvanced MRI Techniques and Applications

An Alternative Route to Molybdenum Disulfide Nanotubes

W. K. Hsu、Bao Chang、Yanqiu Zhu 等 10 位作者2000-09-27Journal of the American Chemical Society

Molybdenum disulfide ((MoS 2 ) n ) nanotubes are generated when polycrystalline MoS 2 powder, covered by Mo foil, is heated to ca. 1300 °C in the presence of H 2 S. Electron diffraction reveals the presence of zigzag arrangements within the tube walls.

Boron and Carbon Nanomaterials Research2D Materials and ApplicationsMXene and MAX Phase Materials

Organic−Inorganic Hybrids Based on Polyoxometalates. 6.1Syntheses, Structure, and Reactivity of the Bis(tert-butylsilyl)decatungstophosphate [(γ-PW10O36)(t-BuSiOH)2]3-

A. Mazeaud、Y. Dromzée、René Thouvenot2000-09-27Inorganic Chemistry

Bis(tert-butylsilyl)decatungstophosphate (n-Bu4N)3[(gamma-PW10O36)(t-BuSiOH)2] (1) has been synthesized through phase-transfer conditions, by reaction of t-BuSiCl3 with Cs7[(gamma-PW10O36)].xH2O. This new hybrid anion has been characterized by elemental analysis, X-ray crystallography, multinuclear solution and solid-…

Chemical Synthesis and CharacterizationMetal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and Applications

Novel Charge-Transfer Materials via Cocrystallization of Planar Aromatic Donors and Spherical Polyoxometalate Acceptors

Pierre Le Maguerès、S.M. Hubig、Sergey V. Lindeman 等 5 位作者2000-09-27Journal of the American Chemical Society

Spherical polyoxometalates (POMs) such as M 6 O 19 2 - and SiM 12 O 40 4 - (with M = Mo or W) and planar arene donors (anthracenes and pyrenes) can be cocrystallized (despite their structural incompatibility) by attaching a cationic “anchor” onto the arene which then clings to the POM anion by Coulombic forces. As a r…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and Applications

Low temperature shape relaxation of 2-d islands by edge diffusion

Nicolas Combe、Hernán Larralde2000-09-27arXiv

We present a precise microscopic description of the limiting step for low temperature shape relaxation of two dimensional islands in which activated diffusion of particles along the boundary is the only mechanism of transport allowed. In particular, we are able to explain why the system is driven irreversibly towards…

Materials Science

Calcium Carbonate Modifications in the Mineralized Shell of the Freshwater SnailBiomphalaria glabrata

B. Hasse、Helmut Ehrenberg、Julia C. Marxen 等 5 位作者2000-09-27Chemistry - A European Journal

The mineralized shell (consisting of calcium carbonate) of the tropical freshwater snail Biomphalaria glabrata was investigated with high resolution synchrotron X-ray powder diffractometry and X-ray absorption spectroscopy (EXAFS). Parts from different locations of the snail shell were taken from animals of different…

Calcium Carbonate Crystallization and InhibitionPaleontology and Stratigraphy of FossilsBone Tissue Engineering Materials

Rational Syntheses of Porphyrins Bearing up to Four Different Meso Substituents

Polisetti Dharma Rao、Dhanalekshmi Savithri、Benjamin J. Littler 等 4 位作者2000-09-27The Journal of Organic Chemistry

Porphyrins bearing specific patterns of substituents are crucial building blocks in biomimetic and materials chemistry. We have developed methodology that avoids statistical reactions, employs minimal chromatography, and affords up to gram quantities of regioisomerically pure porphyrins bearing predesignated patterns…

Molecular Sensors and Ion DetectionLuminescence and Fluorescent MaterialsPorphyrin and Phthalocyanine Chemistry

WATER-SOLUBLE AMPHOLYTIC GRAFTED POLYSACCHARIDES. 1. GRAFTING OF THE ZWITTERIONIC MONOMER 2-(2-METHACRYLO-ETHYLDIMETHYLAMMONIO) ETHANOATE ONTO HYDROXYETHYL CELLULOSE

Liming Zhang、Yebang Tan、Shao-Jie Huang 等 5 位作者2000-09-26Journal of Macromolecular Science Part A

Novel ampholytic grafted polysaccharides were prepared by grafting the Zwitterionic monomer 2-(2-methacryloethyldimeth-ylammonio) ethanoate onto hydroxyethyl cellulose. Ethylenediamine tetraacetic acid was used in combination with ceric ammonium nitrate as the redox initiator. The effects of various factors such as in…

Hydrogels: synthesis, properties, applicationsbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Effects of Water Content and Molecular Weight on Spin Probe and Water Mobility in Malto-oligomer Glasses

Ivon J. van den Dries、Dagmar van Dusschoten、Marcus A. Hemminga 等 4 位作者2000-09-26The Journal of Physical Chemistry B

Spin probe rotational mobility has been studied by means of saturation transfer ESR in malto-oligomer−water glasses and has been compared to water mobility as measured by 1 H NMR. Increasing the water content from 10 to 30 wt % leads to a decrease in spin probe mobility at T g while the water mobility increases at T g…

Sensory Analysis and Statistical MethodsMaterial Dynamics and PropertiesFermentation and Sensory Analysis

Calixarenes as Scaffolds: Introduction of Tridentate Rare Earth Metal Binding Units into Calix[4]arene

Pascal Froidevaux、Jack M. Harrowfield、Alexandre N. Sobolev2000-09-26Inorganic Chemistry

The reactions of various derivatives of chelidamic acid (4-hydroxypyridine-2,6-dicarboxylic acid) with p-tert-butylcalix[4]arene have produced several new mono- and difunctionalized derivatives of the calixarene in which tridentate functional groups suitable for the binding of rare earth metal cations have been incorp…

Magnetism in coordination complexesSupramolecular Chemistry and ComplexesLanthanide and Transition Metal Complexes

Photoemission in the system of linear chains : application to PrBa$_2$Cu$_3$O$_7$ and La$_{\rm 2-x-y}$Nd$_{\rm y}$Sr$_{\rm x}$CuO$_4$

J. D. Lee、T. Mizokawa、A. Fujimori2000-09-26arXiv

Photoemission in the system of linear charged chains has been studied with the dipole matrix incorporated, from which its dependencies on the photoelectron momentum (${\bf k}$), photon polarization ($\hat{\bf E}$), and photon energy ($ω$) can be explored. The used model is the three-dimensional array of noninteracting…

Strongly Correlated ElectronsMaterials Science

Template Mineralization of Ordered Macroporous Chitin−Silica Composites Using a Cuttlebone-Derived Organic Matrix

Wataru Ogasawara、Wayne Shenton、Sean A. Davis 等 4 位作者2000-09-26Chemistry of Materials

Cuttlebone is a highly organized calcium carbonate biomineral with an elaborate macroporous architecture consisting of mineralized sheets and supporting wall structures that are constructed on a β-chitin matrix (figure). Removal of the calcium carbonate by demineralization results in an intact polysaccharide matrix th…

Calcium Carbonate Crystallization and InhibitionPolyoxometalates: Synthesis and ApplicationsMesoporous Materials and Catalysis

The Selectivity of Reversible Oxy-Anion Binding in Aqueous Solution at a Chiral Europium and Terbium Center: Signaling of Carbonate Chelation by Changes in the Form and Circular Polarization of Luminescence Emission

James I. Bruce、Rachel S. Dickins、Linda J. Govenlock 等 11 位作者2000-09-26OpenAlex

Reversible anion binding in aqueous media at chiral Eu III and Tb III centers has been characterized by 1 H NMR and by changes in the emission intensity and circular polarization following direct or sensitized (365 nm) excitation via an alkylphenanthridinium chromophore. Using a series of heptadentate tri-amide or pol…

Radioactive element chemistry and processingMolecular Sensors and Ion DetectionLanthanide and Transition Metal Complexes

Electrical switching and Mott transition in VO2

Г. Б. Стефанович、A. L. Pergament、D. G. Stefanovich2000-09-26OpenAlex

In this paper the problem of the Mott metal-insulator transition in vanadium dioxide driven by an external electric field is considered. Delay time ( t d ) measurements have shown that the experimental value of t d is almost three orders of magnitude lower than the theoretical value, calculated in a simple electrother…

Gas Sensing Nanomaterials and SensorsAdvanced Memory and Neural ComputingTransition Metal Oxide Nanomaterials