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
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
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
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
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
Christopher O. Oriakhi、Isaac V. Farr、Michael M. Lerner1997-04-01Clays and Clay Minerals
Abstract Phase and morphological changes during thermolysis of Mg 4 Al 2 (OH) 12 CO 3 · n H 2 O and Zn 6 Al 2 (OH) 16 CO 3 · n H 2 O layered double hydroxides (LDH) and their nanocomposites with poly(styrene sulfonate) (PSS) are studied by X-ray powder diffraction (XRD), scanning and transmission electron micrography…
Layered Double Hydroxides Synthesis and ApplicationsInorganic Chemistry and MaterialsMagnesium Oxide Properties and Applications
Naomi E. Chayen1997-04-01Journal of Applied Crystallography
The process of protein crystallization often takes place too rapidly, thus producing showers of crystals instead of large single crystals. A novel technique for improving protein-crystal size by slowing down the crystallization process is described. This is achieved by the setting up of a vapour-diffusion experiment w…
Protein Structure and DynamicsEnzyme Structure and FunctionCrystallization and Solubility Studies
T.M. Barclay、A. W. Cordes、Craig D. MacKinnon 等 5 位作者1997-04-01Chemistry of Materials
The synthesis of dicyanooligothiophenes NC(C 4 H 2 S) n CN ( n = 3−6) is reported. For n = 3, 4, and 5 the dinitriles are generated by treatment of the corresponding dibromo compounds with copper(I) cyanide in quinoline. For n = 6 the preparation involves the Ni-catalyzed coupling of 5-bromo-2,2‘:5‘,2‘‘-terthiophene-5…
Molecular Junctions and NanostructuresOrganic and Molecular Conductors ResearchOrganic Chemistry Cycloaddition Reactions
Michael Frenklach、Sergei Skokov1997-04-01The Journal of Physical Chemistry B
Growth of diamond has usually been discussed without invoking any form of surface diffusion. Our recent theoretical results identified, however, that bridging CH 2 and CCH 2 groups and radical vacancies can migrate on diamond {100} surfaces. The present work further explores migration of hydrogen atoms, bridging group…
High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchQuantum, superfluid, helium dynamics
I. D. L. Albert、Tobin J. Marks、Mark A. Ratner1997-04-01Journal of the American Chemical Society
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTConformationally-Induced Geometric Electron Localization. Interrupted Conjugation, Very Large Hyperpolarizabilities, and Sizable Infrared Absorption in Simple Twisted Molecular ChromophoresIsrael D. L. Albert, Tobin J. Marks, and Mark A. RatnerView Author Information D…
Advanced Chemical Physics StudiesNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic Compounds
John D. Morgan、K. M. Lusvardi、Eric W. Kaler1997-04-01Macromolecules
A kinetic analysis of the microemulsion polymerization of hexyl methacrylate in mixed dodecyltrimethylammonium bromide/didodecyldimethylammonium bromide cationic microemulsions is developed and used to test mechanistic assumptions. In the limit of no bimolecular termination and fast radical capture, analytical express…
Advanced Polymer Synthesis and CharacterizationThermal and Kinetic AnalysisPhotopolymerization techniques and applications
David G. Cahill1997-04-01Microscale Thermophysical Engineering
Experimental and theoretical studies of heat transport by lattice vibrations in thin film materials are reviewed. Selected examples of experimental methods are discussed to illustrate the wide variety of methods that have been developed for thin film measurements. Dielectric thin films are typically deposited at relat…
Thermal properties of materialsAdhesion, Friction, and Surface InteractionsSurface and Thin Film Phenomena
K. Subramanya Mayya、Virendra Patil、Murali Sastry1997-04-01Langmuir
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTLamellar Multilayer Gold Cluster Films Deposited by the Langmuir−Blodgett TechniqueK. S. Mayya, V. Patil, and Murali SastryView Author Information Materials Chemistry Division, National Chemical Laboratory, Pune 411 008, India Cite this: Langmuir 1997, 13, 9, 2575–2577Publicati…
Gold and Silver Nanoparticles Synthesis and ApplicationsNanocluster Synthesis and Applicationsnanoparticles nucleation surface interactions
Stefan Stechemesser、Wolfgang Eimer1997-04-01Macromolecules
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTSolvent-Dependent Swelling of Poly(amido amine) Starburst DendrimersStefan Stechemesser and Wolfgang EimerView Author Information Department of Chemistry, University of Bielefeld, P.O. Box 10 01 31, D-33 501 Bielefeld, GermanyCite t…
Polymer Surface Interaction StudiesLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers
Joseph R. Smyth、Tatsuhiko Kawamoto、Stephen D. Jacobsen 等 6 位作者1997-04-01American Mineralogist
Other| April 01, 1997 Crystal structure of monoclinic hydrous wadsleyite [β-(Mg,Fe)2 SiO4 ] Joseph R. Smyth; Joseph R. Smyth University of Colorado, Department of Geological Sciences, Boulder, CO, United States Search for other works by this author on: GSW Google Scholar Tatsuhiko Kawamoto; Tatsuhiko Kawamoto Search f…
Geological and Geochemical AnalysisCrystal Structures and PropertiesClay minerals and soil interactions
M.M. Al-Mousawi、S.R. Reid、W.F. Deans1997-04-01Proceedings of the Institution of Mechanical Engineers Part C Journal of Mechanical Engineering Science
The use of the split Hopkinson pressure bar (SHPB) techniques for materials testing under a high rate of loading is described, including various modifications of the original compression testing set-up for tension testing, torsion testing and dynamic fracture testing. Details of measurement techniques and instrumentat…
Energetic Materials and CombustionHigh-Velocity Impact and Material BehaviorElectromagnetic Launch and Propulsion Technology
R. E. Cohen1997-04-01Ferroelectrics
Total energies, electronic structure, surface energies, polarization, potentials and charge densities were studied for slabs of BaTiO3 using the Linearized Augmented Plane Wave (LAPW) method. The depolarization field inhibits ferroelectricity in the slabs, and the macroscopic field set up across a ferroelectric slab i…
Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis
E. Boucher、John P. Folkers、Costantino Creton 等 5 位作者1997-04-01Macromolecules
We present an investigation of the mechanisms of mechanical reinforcement at interfaces between polypropylene (PP) and polyamide-6 (PA6), associated with the incorporation of a small amount of maleic anhydride functionalized PP (PP- g -MA) which reacts with the NH 2 groups of the PA6 to form a copolymer in situ. In a…
Mechanical Behavior of CompositesPolymer crystallization and propertiesPolymer Nanocomposites and Properties
Kichizo Asai、Osamu Yokokura、Masaru Suzuki 等 8 位作者1997-04-01Journal of the Physical Society of Japan
The pressure dependence of the 100 K spin-state transition in LaCoO 3 is investigated through magnetization measurement under pressures of up to 18.2 kbar. The energy gap, Δ, between the low-spin ground state and the excited magnetic state (intermediate spin) increases remarkably with increasing pressure. The linear p…
Advanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds
Yu. P. Panarin、O. E. Kalinovskaya、J. K. Vij 等 4 位作者1997-04-01Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
Dielectric relaxation processes in an antiferroelectric liquid crystal (AFLC) have been investigated over a wide range of frequencies from 1 Hz to 1 GHz. The AFLC under investigation possesses a variety of different ferrielectric, ferroelectric, and antiferroelectric phases. Dielectric and polarization measurements un…
Liquid Crystal Research AdvancementsPhase-change materials and chalcogenidesMolecular spectroscopy and chirality