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Density-functional theory calculation of the intermolecular exchange interaction in the magneticMn4dimer

Kyungwha Park、Mark R. Pederson、Steven L. Richardson 等 5 位作者2003-07-28Physical review. B, Condensed matter

The dimeric form of the single-molecule magnet $[{\mathrm{Mn}}_{4}{\mathrm{O}}_{3}{\mathrm{Cl}}_{4}({\mathrm{O}}_{2}\mathrm{CEt}{)}_{3}(\mathrm{py}{)}_{3}{]}_{2}$ recently revealed interesting phenomena: no quantum tunneling at zero field and tunneling before magnetic-field reversal. This is attributed to substantial…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryOrganic and Molecular Conductors Research

Elastic Deformation of Polycrystals

Rajeev Ahluwalia、Turab Lookman、Avadh Saxena2003-07-28Physical Review Letters

We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility induced long-range interaction between grains. The coupling of crystal orientatio…

Microstructure and mechanical propertiesMicrostructure and Mechanical Properties of SteelsHigh Temperature Alloys and Creep

A model for crystal dissolution

Antonio C. Lasaga、Andreas Lüttge2003-07-28European Journal of Mineralogy

A comprehensive dissolution rate theory that integrates individual surface reactions into an overall rate is developed. The dissolution theory is based on the movement of dissolution stepwaves stemming from surface defects. The net bulk rate associated with dissolution stepwaves arises quite naturally from the equatio…

Calcium Carbonate Crystallization and InhibitionMinerals Flotation and Separation TechniquesChemical Looping and Thermochemical Processes

Off-lattice Kinetic Monte Carlo simulations of Stranski-Krastanov-like growth

Michael Biehl、Florian Much2003-07-28arXiv

We investigate strained heteroepitaxial crystal growth in the framework of a simplifying (1+1)-dimensional model by use of off-lattice Kinetic Monte Carlo simulations. Our modified Lennard-Jones system displays the so-called Stranski-Krastanov growth mode: initial pseudomorphic growth ends by the sudden appearance of…

Materials Sciencecond-mat.stat-mech

Thermal expansion of carbon structures

Patrick K. Schelling、Pawel Keblinski2003-07-28Physical review. B, Condensed matter

Using an empirical bond-order potential, molecular dynamics (MD) simulations, and lattice dynamics calculations, we study the thermal expansion of diamond, graphite and single-walled carbon nanotubes. MD simulations demonstrate that, while the C-C bond length increases at a similar rate with increasing temperature in…

High-pressure geophysics and materialsBoron and Carbon Nanomaterials ResearchThermal Expansion and Ionic Conductivity

Ultrafast Optical Switching to a Metallic State by Photoinduced Mott Transition in a Halogen-Bridged Nickel-Chain Compound

S. Iwai、M. Ono、Atsushi Maeda 等 7 位作者2003-07-28OpenAlex

We demonstrate the ultrafast photoinduced Mott transition from a charge transfer insulator to a metal in a halogen-bridged Ni-chain compound by pump-probe reflection spectroscopy. Upon the irradiation of a 130-femtosecond laser pulse, the spectral weight of the gap transition is transferred to the inner-gap region. Wh…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography

Titanium and Titanium Alloys

作者信息未提供2003-07-28OpenAlex

Foreword.List of Contributors.1. Structure and Properties of Titanium and Titanium Alloys (M. Peters, et al.).2. Beta Titanium Alloys (G. Terlinde and G. Fischer).3. Orthorhombic Titanium Aluminides: Intermetallic with Improved Damage Tolerance (J. Kumpfert and C. Leyens).4. gamma-Titanium Aluminide Alloys: Alloy Desi…

Intermetallics and Advanced Alloy PropertiesTitanium Alloys Microstructure and PropertiesMaterial Properties and Applications

A poly(pyrrole-Cobalt(II)deuteroporphyrin) electrode for the potentiometric determination of nitrite

Serge Cosnier、Chantal Gondran、Rudolf Wessel 等 5 位作者2003-07-27Sensors

The electrochemical properties of a new Co(II) deuteroporphyrin substituted by two electropolymerizable pyrrole groups has been investigated in organic solvent. This functionalization has allowed the preparation of the first example of a cobalt deuteroporphyrin film by oxidative electropolymerization. The resulting co…

Electrochemical sensors and biosensorsConducting polymers and applicationsAnalytical Chemistry and Sensors

Magnetic study of an amorphous conducting polyaniline

Debangshu Chaudhuri、Ashwani Kumar、D. D. Sarma 等 6 位作者2003-07-27arXiv

We show that newly found BF3-doped polyaniline, though highly conducting, remains amorphous. Magnetic studies reveal many unusual properties, while suggesting that the intrinsic conductivity of this system is significantly larger than all other known forms of conducting polyaniline, establishing it as an interesting c…

Materials Science

Exact calculation of single-electron states in Si-nanocrystal embedded in SiO2

Nguyen Hong Quang、Tran The Trung、Johann See 等 4 位作者2003-07-27arXiv

We present an exact calculation of the single-electron energies and wave-functions for any bound state in a realistic Si-SiO2 spherical quantum dot, including the material dependence of the electron effective mass. The influence of dot radius, confinement barrier potential and barrier-to-dot electron mass ratio on the…

Mesoscale and Nanoscale PhysicsMaterials Science

1,3-Dipolar Cycloaddition in Polymer Synthesis. 1. Polyadducts with Flexible Spacers Derived from Bis(N-methylnitrone)s and Bis(N-phenylmaleimide)s

L. O. Vretik、Helmut Ritter2003-07-26Macromolecules

The thermal 1,3-dipolar polycycloaddition of N,N ‘-dimethyl- p -phenylenedinitrone ( 3 ) and 4,4‘-hexanediyldioxydi( N -methyl- p -phenylenenitrone) ( 10 ) with N,N ‘-(1,4-phenylene)dimaleimide and 1,6-hexanediylbis(carbamic acid) bis( N -methyl- p -phenylenenitrone) ester ( 12 ) with 1,6-hexanediylbis(carbamic acid)…

Molecular Junctions and NanostructuresClick Chemistry and ApplicationsSynthesis and properties of polymers

Magnetic Properties and Magnetoresistance of GdCrSb3

Laura Deakin、Arthur Mar2003-07-26Chemistry of Materials

GdCrSb 3 is an intermetallic compound with a structure containing alternating layers of Gd and Cr atoms. It undergoes long-range magnetic ordering at 92 K, as revealed by dc and ac magnetic susceptibility measurements, concomitant with a transition in the single-crystal electrical resistivity. These results imply more…

Advanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds

Magnetic and Optical Studies on an S = 6 Ground-State Cluster [Cr12O9(OH)3(O2CCMe3)15]: Determination of, and the Relationship Between, Single-Ion and Cluster Spin Hamiltonian Parameters

David Collison、Mark Murrie、Vasily S. Oganesyan 等 12 位作者2003-07-26Inorganic Chemistry

The dodecametallic Cr(III) cluster [Cr(12)O(9)(OH)(3)(O(2)CCMe(3))(15)] has a ground spin state of S = 6 characterized by the spin Hamiltonian parameters g(ZZ)() = 1.965, g(XX)() = g(YY)() = 1.960, D(S=)()(6) = +0.088 cm(-)(1), and E(S=)()(6) = 0 (where D and E are the axial and rhombic zero-field splitting parameters…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesPolyoxometalates: Synthesis and Applications

Hydrothermal Synthesis and Structure of Lead Titanate Pyrochlore Compounds

Jing Ju、Dejun Wang、Jianhua Lin 等 10 位作者2003-07-26Chemistry of Materials

Systemic syntheses showed that the lead titanate pyrochlore phases formed under hydrothermal reactions in a certain range of KOH concentrations. The obtained pyrochlore phases all crystallize in the cubic structure. In comparison with typical pyrochlore structure, the O‘ site in Pb 2 Ti 2 O 6 O‘ is vacant. In addition…

Ferroelectric and Piezoelectric MaterialsAdvanced Condensed Matter PhysicsNuclear materials and radiation effects

Mixed-Valence State of Optically Active 1‘,1‘ ‘‘-Bis(2-phenylbutyl)-1,1‘ ‘-biferrocenium Pentaiodide: Effects of Cation Symmetry and Intermolecular Interaction on Trapped-/Detrapped-Valence States

Takashi Oda、Satoru Nakashima、Tsutomu Okuda2003-07-26Inorganic Chemistry

The effects of cation symmetry and packing on the mixed-valence state of binuclear ferrocene derivatives are discussed separately by using chiral isomers and racemic modification of 1',1' "-bis(2-phenylbutyl)-1,1' '-biferrocenium pentaiodide. The pentaiodide anion has a polymeric structure and is composed of triiodide…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesFerrocene Chemistry and Applications

Hypoxia-Targeting Copper Bis(selenosemicarbazone) Complexes: Comparison with Their Sulfur Analogues

T.C. Castle、Richard I. Maurer、Frank E. Sowrey 等 7 位作者2003-07-26Journal of the American Chemical Society

The first copper bis(selenosemicarbazone) complexes have been synthesized, using the ligands glyoxal bis(selenosemicarbazone), pyruvaldehyde bis(selenosemicarbazone), and 2,3-butanedione bis(selenosemicarbazone). Their spectroscopic properties indicate that they are structurally analogous to their well-known square-pl…

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

Multilayer Formation Using Oppositely Charged Gold- and Silver-Dendrimer Nanocomposites

Kunio Esumi、Shintaro AKIYAMA、Tomokazu Yoshimura2003-07-26Langmuir

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTMultilayer Formation Using Oppositely Charged Gold- and Silver-Dendrimer NanocompositesKunio Esumi, Shintaro Akiyama, and Tomokazu YoshimuraView Author Information Department of Applied Chemistry and Institute of Colloid and Interface Science, Tokyo University of Science, Kagur…

Gold and Silver Nanoparticles Synthesis and ApplicationsPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Physical Properties of Hydrogels Synthesized from Lyotropic Liquid Crystalline Templates

Christopher L. Lester、Shannon M. Smith、Colleen D. Colson 等 4 位作者2003-07-26Chemistry of Materials

Recently, a considerable amount of research has centered on the synthesis of nanostructured hydrogels via the polymerization of monomers in lyotropic liquid crystal (LLC) phases. Because of the potential for controllable nanostructures, these materials have exhibited tremendous potential for a variety of applications.…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsSurfactants and Colloidal Systems

Low-Shrinkage, High-Hardness, and Transparent Hybrid Coatings: Poly(methyl methacrylate) Cross-Linked with Silsesquioxane

John H. Harreld、Akira Esaki、Galen D. Stucky2003-07-26Chemistry of Materials

Copolymers of trimethoxysilylpropyl methacrylate (TMSPM) and methyl methacrylate (MMA) with varied composition and molecular weight were prepared as building blocks for transparent organic−inorganic hybrid materials. Thermally and chemically induced condensation of these network precursors after solvent evaporation re…

Synthesis and properties of polymersSilicone and Siloxane ChemistryPhotopolymerization techniques and applications

Photo-Switched Storage and Release of Guest Molecules in the Pore Void of Coumarin-Modified MCM-41

Nawal Kishor Mal、Masahiro Fujiwara、Yuko Tanaka 等 5 位作者2003-07-26Chemistry of Materials

A photoresponsive coumarin derivative was grafted on the pore outlet of Si−MCM-41. Irradiation of UV light longer than 310-nm wavelength to this coumarin-modified MCM-41 induced the photodimerization of coumarin to close the pore outlet with cyclobutane dimer. Guest molecules such as phenanthrene neither can enter nor…

Mesoporous Materials and CatalysisSupramolecular Self-Assembly in MaterialsCovalent Organic Framework Applications