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X-ray Diffraction-Line Broadening Analysis: Paracrystalline Method

R. Somashekar、H. Somashekarappa1997-04-01Journal of Applied Crystallography

Line-profile simulation and matching on the basis of a paracrystalline one-dimensional Hosemann model provides a promising approach to the analysis of line broadening. Results of analysis using X-ray wide-angle data of polymers and metallic samples are compared with Warren–Averbach multiple-order and single-order meth…

Cultural Heritage Materials AnalysisX-ray Spectroscopy and Fluorescence AnalysisX-ray Diffraction in Crystallography

Local Density Functional Study of Oxoiron(IV) Porphyrin Complexes and Their One-Electron Oxidized Derivatives. Axial Ligand Effects

Jens Antony、Michael Grodzicki、Alfred X. Trautwein1997-04-01The Journal of Physical Chemistry A

A systematic study of the electronic structure of models for the active sites of heme enzymes such as peroxidases and cytochromes P450 has been carried out for high-valent transition states of their catalytic cycles, namely, compound I and compound II for peroxidases, as a function of the second axial ligand. The inve…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Ambient Dose Equivalent Conversion Factors for High Energy Neutrons Based on the ICRP 60 Recommendations

A. V. Sannikov、E. N. Savitskaya1997-04-01Radiation Protection Dosimetry

Calculations of the ambient dose equivalent conversion factors for neutron energies from 20 MeV to 5 GeV have been performed using the Monte Carlo high energy transport code HADRON. The kerma approximation extended to the high energy region was applied in the calculations. The results obtained are compared with the pr…

Nuclear reactor physics and engineeringRadiation Therapy and DosimetryGraphite, nuclear technology, radiation studies

Light-induced orientation in azo-polyimide polymers 325 °C below the glass transition temperature

Zouheir Sekkat、Jonathan Wood、Wolfgang Knoll 等 6 位作者1997-04-01Journal of the Optical Society of America B

We report on light-induced nonpolar orientation of sidechain nonlinear-optical polyimides [glass transition temperatures (Tg) up to 350 °C] containing no flexible connectors or tethers. The nonlinear-optical azo-dye chromophore is incorporated through the donor substituent as a part of the polymer backbone. This impre…

Liquid Crystal Research AdvancementsNonlinear Optical Materials ResearchNonlinear Optical Materials Studies

Synthesis of an amphiphilic triarm star copolymer based on polystyrene, poly(ethylene oxide) and poly(ε‐caprolactone)

Olivier Lambert、Philippe Dumas、Guy Hurtrez 等 4 位作者1997-04-01Macromolecular Rapid Communications

Abstract The synthesis of an amphiphilic triarm star copolymer based on polystyrene, poly(ethylene oxide) and poly(ε‐caprolactone) block has been achieved by a novel strategy which consists in the preparation of a diblock copolymer, polystyrene‐ block ‐poly(ethylene oxide), having a protected anionic initiator group a…

Advanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and propertiesBiopolymer Synthesis and Applications

Surface-Enhanced Vibrational Spectroscopy: A New Tool in Chemical IR Sensing?

R. Kellner、Boris Mizaikoff、Michael Jakusch 等 5 位作者1997-04-01Applied Spectroscopy

In order to further improve the sensitivity of chemical IR sensors, research into a significant change in the signal generation mechanism was carried out. This effort was realized by generating the surface-enhanced IR absorption and Raman-scattering effect at silver- and gold-island-covered Ge- and ZnSe ATR surfaces f…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesBiosensors and Analytical Detection

A Novel Way of Measuring Local Electrochemical Impedance Using A Single Vibrating Probe

Elodie Bayet、F. Huet、M. Keddam 等 5 位作者1997-04-01Journal of The Electrochemical Society

A novel method of measuring local electrochemical impedance using a single vibrating probe electrode has been developed by modification of a commercial device of scanning vibrating electrode technique (SVET). The small size of the vibrating probe used by the SVET minimizes the screening effect of the probe on the dist…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability

Molecular Assembly Structure of CCl4 in Graphitic Nanospaces

Taku Iiyama、Keiko Nishikawa、Toshio Suzuki 等 7 位作者1997-04-01The Journal of Physical Chemistry B

The X-ray diffraction of CCl 4 molecules adsorbed in slit-shaped graphitic micropores was measured at 303 K. The effect of the pore width in the range of 0.75−1.13 nm on the structure of CCl 4 molecular assembly in the micropores was examined. The electron radial distribution function (ERDF) analysis was applied to th…

Phase Equilibria and ThermodynamicsSurface Chemistry and CatalysisX-ray Diffraction in Crystallography

Morphology of Vergina Star 16-Arm Block Copolymers and Scaling Behavior of Interfacial Area with Graft Point Functionality

Frederick L. Beyer、Samuel P. Gido、Yiannis Poulos 等 5 位作者1997-04-01Macromolecules

The morphological behavior of three well-defined miktoarm star block copolymers having 16 arms/molecule was characterized using transmission electron microscopy (TEM), small-angle X-ray scattering (SAXS), and small-angle neutron scattering (SANS) techniques. The molecules, called Vergina stars, have 8 arms of polyisop…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesBlock Copolymer Self-Assembly

Novel Optical Materials and Applications

J.S. Obhi1997-04-01Measurement Science and Technology

This book is formed from the `fall out' of the Second Mediterranean Workshop and Topical Meeting on Novel Optical Materials and Applications. The editors have primarily aimed this work as a reference text for a broad spectrum of research scientists both in academia and industry. Consisting of eleven chapters, the book…

Phase-change materials and chalcogenidesMagneto-Optical Properties and ApplicationsChemical and Physical Properties of Materials

Determination of Oxygen Nonstoichiometry and Diffusivity in Mixed Conducting Oxides by Oxygen Coulometric Titration: I. Chemical Diffusion in

M.H.R. Lankhorst、H.J.M. Bouwmeester1997-04-01Journal of The Electrochemical Society

Oxygen coulometric titration has been applied to measure chemical diffusion in between 700 and 1000°C. The transient current response to a potentiostatic step has been transformed from the time domain to the frequency domain. The equivalent circuit used to fit the resulting impedance data contains the element that des…

Ferroelectric and Piezoelectric MaterialsAdvancements in Solid Oxide Fuel CellsDielectric properties of ceramics

Nonradiative decay processes and mechanisms of frequency upconversion of Er3+ in ZrF4–BaF2–LaF3 glass

Masahide Takahashi、Masanori Shojiya、Ryoji Kanno 等 7 位作者1997-04-01Journal of Applied Physics

We have investigated the decay processes of the Er:4S3/2 and F39/2 states and the mechanisms of frequency upconversion under 800 nm excitation of Er3+ in ternary ZrF4–BaF2–LaF3 glasses. The decay processes of the Er:4S3/2 and F49/2 states are discussed on the basis of the Er concentration dependence of the fluorescenc…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

A model of insulin fibrils derived from the x-ray crystal structure of a monomeric insulin (despentapeptide insulin)

Jens Brange、Guy Dodson、David J. Edwards 等 5 位作者1997-04-01Proteins Structure Function and Bioinformatics

The crystal structure of despentapeptide insulin, a monomeric insulin, has been refined at 1.3 A spacing and subsequently used to predict and model the organization in the insulin fibril. The model makes use of the contacts in the densely packed despentapeptide insulin crystal, and takes into account other experimenta…

Protein Structure and DynamicsEnzyme Structure and FunctionMetabolism, Diabetes, and Cancer

Electrodeposition of quantum‐confined metal/semiconductor nanocomposites

Jay A. Switzer、Chen‐Jen Hung、Eric W. Bohannan 等 6 位作者1997-04-01Advanced Materials

Electrodepositiona s an approach to quantum confinement is the idea behind the work on nanocomposite films of Cu and Cu 2 O reported here. The phase of the film electrodeposited from an alkaline aqueous solution of copper(II) lactate depends on the cathodic current density used, varying from pure Cu 2 O (a p‐type semi…

ZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Inferences from the 1H-NMR Spectroscopic Study of an Antiferromagnetically Coupled Heterobinuclear Fe(III)−(X)−Cu(II) S = 2 Spin System (X = O2-, OH-)

Alaganandan Nanthakumar、S. Fox、Narasimha N. Murthy 等 4 位作者1997-04-01Journal of the American Chemical Society

This study considers how the electronic relaxation rate enhancement effects of strong antiferromagnetic coupling in the Fe III −X−Cu II unit (X = O 2 -, OH - ) of complexes [(F 8 -TPP)Fe III −O−Cu II (TMPA)] + ( 1 ), and [(F 8 -TPP)Fe III −OH−Cu II (TMPA)] + ( 2 ) (F 8 -TPP = tetrakis(2,6-difluorophenyl)porphyrinate(2…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Knowledge Discovery in Reaction Databases: Landscaping Organic Reactions by a Self-Organizing Neural Network

Lingran Chen、Johann Gasteiger1997-04-01Journal of the American Chemical Society

Chemists have always derived their knowledge about chemical reactions by inductive learning from observations on a series of individual chemical reactions. Predictions of the products of chemical reactions are made by analogy. With the availability of large reaction databases this process can be automated. In this pap…

Neural Networks and ApplicationsMachine Learning in Materials ScienceMachine Learning in Bioinformatics

Ab InitioStructure Determination of Li2MnO3from X-ray Powder Diffraction Data

V. Massarotti、Marcella Bini、Doretta Capsoni 等 5 位作者1997-04-01Journal of Applied Crystallography

The results of the structural determination of Li2MnO3 from X-ray powder diffraction data and the refinement by the Rietveld technique are presented. The Li2MnO3 structure has a monoclinic cell with space group C2/m(Z = 4) and cell parameters a = 4.9246 (1), b = 8.5216 (1), c = 5.0245 (1) Å, β = 109.398 (1)°; the refi…

Chemical Synthesis and CharacterizationX-ray Diffraction in CrystallographyCrystallography and Radiation Phenomena

Statistical rate theory description of beam-dosing adsorption kinetics

Janet A.W. Elliott、C. A. Ward1997-04-01The Journal of Chemical Physics

Absolute rate theory and the sticking probability approach have been previously examined as possible means of predicting the rate of adsorption. However, when applied to examine adsorption kinetics, they have been found not to contain the coverage and pressure dependence required for several important systems includin…

Catalytic Processes in Materials ScienceCoagulation and Flocculation Studiesnanoparticles nucleation surface interactions

The in-plane switching of homogeneously aligned nematic liquid crystals

Masahito Oh‐e、Katsumi Kondo1997-04-01Liquid Crystals

We have investigated the electro-optical effects and physical switching principle of homogeneously aligned nematic liquid crystals when applying an in-plane electric field with interdigital electrodes. By using the in-plane switching (IPS) of the liquid crystals which is achieved by the in-plane electric field, the vi…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsNonlinear Dynamics and Pattern Formation

Size Quantization in Electrodeposited CdTe Nanocrystalline Films

Yitzhak Mastai、Gary Hodes1997-04-01The Journal of Physical Chemistry B

We describe the deposition and characterization of nanocrystalline CdTe films which exhibit size quantization. The CdTe films were electrodeposited from a dimethylsulfoxide solution of tri-( n -butyl)phosphine telluride and cadmium perchlorate at 100 °C. The stoichiometry of the films depends on applied potential and…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications