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Quantitative phase analysis by combining the Rietveld and the whole-pattern decomposition methods

Cinzia Giannini、Antonietta Guagliardi、Roberto Millini2002-07-18Journal of Applied Crystallography

The Rietveld quantitative phase analysis of polycrystalline mixtures is a model-dependent method. The absence of any structural information about even one phase in the mixture prevents the application of the method; on the other hand, the availability of a structural model that is not sufficiently representative of re…

Zeolite Catalysis and SynthesisMachine Learning in Materials ScienceX-ray Diffraction in Crystallography

Poly(4‐vinylpyridine) as the host ligand of metal‐containing chromophores for second‐order nonlinear optical active materials

Ugo Caruso、A. De Maria、Barbara Panunzi 等 4 位作者2002-07-18Journal of Polymer Science Part A Polymer Chemistry

Abstract Two formulas of grafted polymers with metal‐containing chromophores, potentially suitable for second‐order nonlinear optics applications, are described. Two chromophores were obtained from a tridentate ligand coordinated to Cu(II) or Pd(II) ions. The organometallic chromophore fragments were grafted to poly(4…

Nonlinear Optical Materials ResearchPhotorefractive and Nonlinear OpticsInorganic and Organometallic Chemistry

High-Temperature Reaction of Kaolin with Sulfuric Acid

Fernando G. Colina、Santiago Esplugás、José Maria Correia da Costa2002-07-18Industrial & Engineering Chemistry Research

A new procedure is described in which kaolin and a small amount of concentrated sulfuric acid are heated in a furnace at temperatures between 150 and 1000 °C. Parameters studied were reaction temperature and time, proton to alumina molar ratio, calcination temperature and time, and amount of water in the reaction medi…

Glass properties and applicationsRecycling and utilization of industrial and municipal waste in materials productionClay minerals and soil interactions

Three-dimensional Pt-nanoparticle networks studied by anomalous small-angle X-ray scattering and X-ray absorption spectroscopy

Thomas Vad、H.‐G. Haubold、Norbert Waldöfner 等 4 位作者2002-07-18Journal of Applied Crystallography

Anomalous small-angle X-ray scattering (ASAXS) experiments with synchrotron radiation were performed to study the three-dimensional nanostructures of metal/organic hybrids formed by crosslinking aluminium-organic-stabilized platinum nanoparticles with various bifunctional organic spacer molecules. The advantage of ASA…

Material Dynamics and PropertiesAdvanced Physical and Chemical Molecular InteractionsChemical and Physical Properties of Materials

Morphological stabilization, destabilization, and open-end closure during carbon nanotube growth mediated by surface diffusion

Oleg A. Louchev、Yoichiro Sato、H. Kanda2002-07-18Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

In this paper, the growth stability of open-ended carbon nanotubes mediated by surface diffusion on the lateral surface of the nanotube is considered in detail. Nanotube growth and destabilization is viewed as a competition of two processes at the open growth edge: (i) hexagon formation sustaining the continuous growt…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

A monomeric selenium(iv) diimide and a dimeric seleninylamine

Tiina Maaninen、Risto S. Laitinen、T. Chivers2002-07-18Chemical Communications

The selenium(IV) diimide AdN=Se=NAd (Ad = 1-adamantyl) adopts a monomeric structure with a Z,E configuration in the solid state whereas the seleninylamine OSe(mu-NBut)2SeO crystallizes as the cis-dimer.

Crystallography and molecular interactionsOrganic and Molecular Conductors ResearchOrganoselenium and organotellurium chemistry

Measurement of spin polarization of single crystals ofLa0.7Sr0.3MnO3andLa0.6Sr0.4MnO3

Yi Ji、C. L. Chien、Y. Tomioka 等 4 位作者2002-07-18Physical review. B, Condensed matter

The spin polarization of single crystals ${\mathrm{La}}_{0.7}{\mathrm{Sr}}_{0.3}{\mathrm{MnO}}_{3}$ and ${\mathrm{La}}_{0.6}{\mathrm{Sr}}_{0.4}{\mathrm{MnO}}_{3}$ has been measured by point-contact Andreev reflection (PCAR) using a superconducting Pb tip. The conductance vs bias voltage spectra have been taken at temp…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds

Characterization of Alkyl Chain Conformation in an Intercalated Cationic Lipid Bilayer by IR Spectroscopy

N. V. Venkataraman、S. Vasudevan2002-07-18The Journal of Physical Chemistry B

A structural analysis of alkyl chain conformation of an intercalated cationic lipid bilayer is described. Dialkyl dimethylammonium ions ( di -C n DA) were ion exchanged into the galleries of layered cadmium thiophosphate to give Cd 0.83 PS 3 ( di -C n DA) 0.34 . The grafting density and interlayer expansions were iden…

Lipid Membrane Structure and BehaviorConducting polymers and applicationsAnalytical Chemistry and Sensors

On the handling of atomic anisotropic displacement parameters

Ralf W. Grosse‐Kunstleve、Paul D. Adams2002-07-18Journal of Applied Crystallography

A number of conventions for the parameterization of atomic anisotropic displacements are used in the literature and in crystallographic programs. Here we summarize the commonly used conventions, with a special emphasis on their application in macromolecular crystallography. We then describe a new software toolbox for…

Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function

Suppression of hydrogenated carbon film deposition by scavenger techniques and their application to the tritium inventory control of fusion devices

F L Tabar s、D. Tafalla、Isabel Tanarro 等 6 位作者2002-07-18Plasma Physics and Controlled Fusion

The well-known radical and ion scavenger techniques of application in amorphous hydrogenated carbon film deposition studies are investigated in relation to the mechanism of tritium and deuterium co-deposition in carbon-dominated fusion devices. A particularly successful scheme results from the injection of nitrogen in…

Magnetic confinement fusion researchDiamond and Carbon-based Materials ResearchFusion materials and technologies

On the issue of urea phase connectivity in formulations based on molded flexible polyurethane foams

Ashish Aneja、Garth L. Wilkes2002-07-18Journal of Applied Polymer Science

Abstract Lithium chloride was added to systematically alter the phase separation behavior, and hence, the nature of urea phase connectivity, in a series of plaques based on molded flexible polyurethane foam formulations. The plaques prepared were found to possess varied levels of urea phase connectivity that was exami…

Polymer composites and self-healingFlame retardant materials and propertiesCovalent Organic Framework Applications

Mechanism of aqueous ultrasonic reaction: controlled synthesis, luminescence properties of amorphous cluster and nanocrystalline CdSe

Jianping Ge、Yadong Li、Guoqiang Yang2002-07-18Chemical Communications

A novel sonochemical method was found to prepare amorphous CdSe cluster and hexagonal nanocrystalline CdSe in aqueous solution. An interfacial mechanism for the sonochemical formation of CdSe nanoparticles was confirmed. The exploration for luminescence properties of the as-prepared CdSe nanoparticles revealed its wid…

Luminescence Properties of Advanced MaterialsQuantum Dots Synthesis And PropertiesUltrasound and Cavitation Phenomena

Ab initio study of the Cu 2 p and 3 s core-level XPS spectra of copper phthalocyanine

S. Carniato、G. Dufour、Yi Luo 等 4 位作者2002-07-18Physical review. B, Condensed matter

The x-ray photoelectron spectra (XPS) of copper tetraazaporphyrin (CuTAP), used as a model of copper phthalocyanine(CuPc) are studied by theoretical simulations. The nature of the main and satellite features observed in the XPS Cu $2p$ and Cu $3s$ photoelectron spectra are discussed based on the results of the charge-…

Porphyrin and Phthalocyanine ChemistryMolecular Junctions and NanostructuresSurface Chemistry and Catalysis

X-ray diffraction, neutron scattering and EXAFS spectroscopy of monoclinic zirconia: analysis by Rietveld refinement and reverse Monte Carlo simulations

Markus Winterer、R. G. Delaplané、R L McGreevy2002-07-18Journal of Applied Crystallography

Extended X-ray absorption fine structure (EXAFS) and neutron scattering data from monoclinic zirconia are analysed independently and simultaneously by reverse Monte Carlo (RMC) modelling. X-ray and neutron powder diffraction data are analysed by Rietveld refinement. The results are compared with respect to the local s…

High-pressure geophysics and materialsMachine Learning in Materials ScienceX-ray Diffraction in Crystallography

Heterobimetallic Bismuth−Transition Metal Salicylate Complexes as Molecular Precursors for Ferroelectric Materials. Synthesis and Structure of Bi2M2(sal)4(Hsal)4(OR) 4 (M = Nb, Ta; R = CH2CH3, CH(CH3)2), Bi2Ti3(sal)8(Hsal)2, and Bi2Ti4(OiPr)(sal)10(Hsal) (sal = O2CC6H4-2-O; Hsal = O2CC6H4-2-OH)

J.H. Thurston、Kenton H. Whitmire2002-07-18Inorganic Chemistry

The reactions between triphenylbismuth, salicylic acid, and the metal alkoxides M(OCH(2)CH(3))(5) (M = Nb, Ta) or Ti[OCH(CH(3))(2)](4) have been investigated under different reaction conditions and in different stoichiometries. Six novel heterobimetallic bismuth alkoxy-carboxylate complexes have been synthesized in go…

Polyoxometalates: Synthesis and ApplicationsInorganic and Organometallic ChemistryOrganometallic Compounds Synthesis and Characterization

Surface Glass Transition Temperature of Amorphous Polymers. A New Insight with SFM

Valery N. Bliznyuk、Hazel E. Assender、G. A. D. Briggs2002-07-18Macromolecules

The surface glass transition temperature, T g, of several amorphous polystyrene (PS) samples each with a narrow molecular weight distribution covering the range of M n from 3 900 to 1 340 000 has been measured by force−distance measurements using a scanning force microscope (SFM). Hysteresis in the loading−unloading c…

Material Dynamics and PropertiesForce Microscopy Techniques and ApplicationsAdhesion, Friction, and Surface Interactions

Outcomes of the International Union of Crystallography Commission on Powder Diffraction Round Robin on Quantitative Phase Analysis: samples 2, 3, 4, synthetic bauxite, natural granodiorite and pharmaceuticals

Nicola V. Y. Scarlett、Ian C. Madsen、L. M. D. Cranswick 等 8 位作者2002-07-18Journal of Applied Crystallography

The International Union of Crystallography (IUCr) Commission on Powder Diffraction (CPD) has sponsored a round robin on the determination of quantitative phase abundance from diffraction data. The aims of the round robin have been detailed by Madsen et al. [ J. Appl. Cryst. (2001), 34 , 409–426]. In summary, they were…

Crystallography and molecular interactionsCrystal Structures and PropertiesX-ray Diffraction in Crystallography

Chemical Modification of Chitosan. 14: Synthesis of Water-Soluble Chitosan Derivatives by Simple Acetylation

Hitoshi Sashiwa、Norioki Kawasaki、Atsuyoshi Nakayama 等 6 位作者2002-07-18Biomacromolecules

ADVERTISEMENT RETURN TO ISSUEPREVNoteChemical Modification of Chitosan. 14: 1 Synthesis of Water-Soluble Chitosan Derivatives by Simple AcetylationHitoshi Sashiwa, Norioki Kawasaki, Atsuyoshi Nakayama, Einosuke Muraki, Noboru Yamamoto, and Sei-ichi AibaView Author Information Green Biotechnology Research Group, The Sp…

Nanocomposite Films for Food Packagingbiodegradable polymer synthesis and properties

Angular versus radial correlation effects on momentum distributions of light two-electron ions

Sebastien Ragot、Jean-Michel Gillet、Pierre J. Becker2002-07-18arXiv

We investigate different correlation mechanisms for two-electron systems and compare their respective effects on various electron distributions. The simplicity of the wave functions used allows for the derivation of closed-form analytical expressions for all electron distributions. Among other features, it is shown th…

Materials ScienceStrongly Correlated Electronsphysics.atm-clusphysics.atom-phChemical Physics

A new paradigm for modulated phases in multi-stage structural transformations

T. Castan、A. Planes、A. Saxena2002-07-18arXiv

For multi-stage, displacive structural transitions we present a general framework that accounts for various intermediate modulated phases, elastic constant, phonon and related thermodynamic anomalies. Based on the presence or absence of modulated phases we classify these transformations in four categories and apply th…

Materials Science