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Phase combination and cross validation in iterated density-modification calculations

Kevin Cowtan、P. C. Main1996-01-01Acta Crystallographica Section D Biological Crystallography

A variety of density-modification techniques are now available for improving electron-density maps in accordance with known chemical information. This modification must, however, always be constrained by consistency with the experimental data. This is conventionally achieved by alternating cycles of map modification i…

Advanced Chemical Physics StudiesMachine Learning in Materials ScienceElectron and X-Ray Spectroscopy Techniques

Photocatalytic Decomposition of NO at 275 K on Titanium Oxides Included within Y-Zeolite Cavities: The Structure and Role of the Active Sites

Hiromi Yamashita、Yuichi Ichihashi、Masakazu Anpo 等 6 位作者1996-01-01The Journal of Physical Chemistry

Titanium oxide species anchored in the Y-zeolite cavities by an ion-exchange method exhibits a high and unique photocatalytic reactivity for the direct decomposition of NO into N 2, O 2, and N 2 O at 275 K with a high selectivity for the formation of N 2 . The in situ photoluminescence and XAFS (XANES and FT-EXAFS) in…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceGas Sensing Nanomaterials and Sensors

Pseudotetrahedral O3/2VO Centers Immobilized on the Walls of a Mesoporous, Cubic MCM-48 Support: Preparation, Characterization, and Reactivity toward Water As Investigated by51V NMR and UV−Vis Spectroscopies

Mark Morey、Anne Davidson、Hellmut Eckert 等 4 位作者1996-01-01Chemistry of Materials

The high hydroxyl content of mesoporous silicates makes it possible to use them as anchors for the attachment of transition-metal species. In the present study, three different samples corresponding to atomic V/Si ratio of 0.01, 0.05, and 0.10 have been prepared by reacting a silica-based mesoporous matrix of the cubi…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsCatalysis and Oxidation Reactions

Aggregation of Tetraaryl-Substituted Porphyrins in Homogeneous Solution

Daniel L. Akins、Han-Ru Zhu、Chucai Guo1996-01-01The Journal of Physical Chemistry

Electronic absorption, fluorescence and fluorescence excitation spectra, and vibrational Raman spectra of selected homogeneous solution phase, free-base tetraaryl-substituted porphyrins specifically, tetraphenylporphine (TPPH 2 ), tetra( p -pyridyl)porphine (TPyPH 2 ), tetra( p - N -methylpyridyl)porphine (TMPyPH 2 ),…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesLuminescence and Fluorescent Materials

Morphological Changes during Secondary Crystallization and Subsequent Melting in Poly(ether ether ketone) as Studied by Real Time Small Angle X-ray Scattering

Ravi Verma、Hervé Marand、Benjamin S. Hsiao1996-01-01Macromolecules

In this paper, we present results of morphological studies during long time melt crystallization and subsequent melting in poly(aryl ether ether ketone) (PEEK). Morphological changes were monitored via small angle X-ray scattering (SAXS). SAXS data were analyzed via a combination of the correlation and interface distr…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Self‐Assembling Frameworks: Beyond microporous oxides

Carol L. Bowes、Geoffrey A. Ozin1996-01-01Advanced Materials

The self‐assembly of inorganic open framework structures has blossomed during the 1990s. Following a short historical summary of the field, the main features of the major classes of microporous materials—cyanide open‐frameworks, chalcogenides, polychalcogenides and thio‐pnictates—are described. The Review concludes wi…

Metal-Organic Frameworks: Synthesis and ApplicationsCrystal Structures and PropertiesPolyoxometalates: Synthesis and Applications

Formation of Ultrathin Multilayer and Hydrated Gel from Montmorillonite and Linear Polycations

Yuri Lvov、Katsuhiko Ariga、Izumi Ichinose 等 4 位作者1996-01-01Langmuir

Organized ceramic/polymer nanocomposites were designed from montmorillonite clay (Mont), cationic poly(ethylenimine) (PEI) or poly(dimethyldiallylammonium chloride) (PDDA) and proteins. Ordered multilayers with a controllable number of layers were prepared by alternate adsorption of delaminated montmorillonite (0.03 w…

Mesoporous Materials and CatalysisPolymer Surface Interaction StudiesDiatoms and Algae Research

Synthesis and Characterization of Hexagonally Packed Mesoporous Tantalum Oxide Molecular Sieves

David M. Antonelli、Jackie Y. Ying1996-01-01Chemistry of Materials

The synthesis and characterization of Ta-TMS1, a new member of a growing family of hexagonally packed transition-metal oxide mesoporous molecular sieves (termed TMS1) is described. Ta-TMS1 exhibits a hexagonal array of pores which can be varied in size from 20 to 40 Å and surface areas of over 500 m 2 /g. The thermal…

Catalytic Processes in Materials ScienceZeolite Catalysis and SynthesisMesoporous Materials and Catalysis

Ligand-Assisted Liquid Crystal Templating in Mesoporous Niobium Oxide Molecular Sieves

David M. Antonelli、Atsushi Nakahira、Jackie Y. Ying1996-01-01Inorganic Chemistry

A systematic study of the factors governing the formation of Nb-TMS1, a niobium-based mesoporous hexagonally-packed transition metal oxide molecular sieve, is reported. The synthesis of this material was achieved through a novel ligand-assisted liquid crystal templating mechanism in which a discrete covalent bond is u…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsLayered Double Hydroxides Synthesis and Applications

Synthesis, Characterization, and 1H NMR Self-Diffusion Studies of Dendritic Aliphatic Polyesters Based on 2,2-Bis(hydroxymethyl)propionic Acid and 1,1,1-Tris(hydroxyphenyl)ethane

Henrik Ihre、Anders Hult、Erik Söderlind1996-01-01Journal of the American Chemical Society

Dendritic aliphatic polyesters of one, two, three, and four generations ( M w: 906, 1856, 3754, and 7549 g/mol) were synthesized in the convergent fashion, using 2,2-bis(hydroxymethyl)propionic acid as building block and 1,1,1-tris(hydroxyphenyl)ethane as core molecule. Dendrons of one to four generations were synthes…

Advanced Polymer Synthesis and CharacterizationDendrimers and Hyperbranched PolymersSynthesis and properties of polymers

Influence of Cooperative α Dynamics on Local β Relaxation during the Development of the Dynamic Glass Transition in Poly(n-alkyl methacrylate)s

F. Garwe、Andreas Schönhals、H. Lockwenz 等 6 位作者1996-01-01Macromolecules

The development of the dynamic glass transition in poly( n -alkyl methacrylate)s is investigated with broad-band dielectric spectroscopy in the frequency range from 10 -4 to 10 9 Hz. The experimental data were analyzed by adjustment with one or a sum of two Havriliak Negami functions. Upon decreasing the temperature,…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties

Structure and Chain Dynamics of Alkanethiol-Capped Gold Colloids

Antonella Badia、Wei Gao、Shanti Singh 等 6 位作者1996-01-01Langmuir

The structure and dynamical behavior of short and long chain alkanethiols, CH 3 (CH 2 ) 7 SH and CH 3 (CH) 17 SH, and of a hydroxyalkanethiol, HO(CH 2 ) 16 SH, adsorbed onto gold nanoparticles were studied by variable temperature solid-state 13 C NMR spectroscopy. In both the solution and solid state, the resonances o…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Assemblage and Alignment of the Spins of the Organic Trinitroxide Radical with a Quartet Ground State by Means of Complexation with Magnetic Metal Ions. A Molecule-Based Magnet with Three-Dimensional Structure and High TC of 46 K

Katsuya Inoue、Takashi Hayamizu、Hiizu Iwamura 等 5 位作者1996-01-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTAssemblage and Alignment of the Spins of the Organic Trinitroxide Radical with a Quartet Ground State by Means of Complexation with Magnetic Metal Ions. A Molecule-Based Magnet with Three-Dimensional Structure and High TC of 46 KKatsuya Inoue, Takashi Hayamizu, Hiizu I…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesDendrimers and Hyperbranched Polymers

Dendritic Molecules: Concepts, Syntheses, Perspectives

George R. Newkome、Charles N. Moorefield、Fritz Vögtle1996-01-01Medical Entomology and Zoology

Masses, Sizes, and Shapes of Macromolecules from Multifunctional Monomers From Theory to Practice: Historical Perspectives Nomenclature Synthetic Methodologies: Divergent Procedures Synthetic Methodologies: Convergent Procedures Synthetic Methodologies: One-step (Hyperbranched) Procedures Chiral Dendritic Macromolecul…

Computational Drug Discovery MethodsDendrimers and Hyperbranched Polymers

Mimicking Aspects of Heterogeneous Catalysis: Generating, Isolating, and Reacting Proposed Surface Intermediates on Single Crystals in Vacuum

Brian E. Bent1996-01-01Chemical Reviews

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMimicking Aspects of Heterogeneous Catalysis: Generating, Isolating, and Reacting Proposed Surface Intermediates on Single Crystals in VacuumBrian E. BentView Author Information Department of Chemistry and Columbia Radiation Laboratory, Columbia University, New York, New Yor…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceMolecular Junctions and Nanostructures

Giant Magnetoresistance and Related Properties of Rare-Earth Manganates and Other Oxide Systems

C. N. R. Rao、Anthony K. Cheetham、R. Mahesh1996-01-01Chemistry of Materials

Giant magnetoresistance (GMR), which was until recently confined to magnetic layered and granular materials, as well as doped magnetic semiconductors, occurs in manganate perovskites of the general formula Ln 1- x A x MnO 3 (Ln = rare earth; A = divalent ion). These manganates are ferromagnetic at or above a certain v…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Getting excited about lanthanide complexation chemistry

David Parker、J. A. Gareth Williams1996-01-01Journal of the Chemical Society Dalton Transactions

Lanthanide complexation chemistry in solution is an active research theme because of the importance of gadolinium complexes as contrast agents in magnetic resonance imaging, and of luminescent europium and terbium complexes as probes in biochemistry. The physicochemical principles and theory underpinning this work are…

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

Dendrimer-Metalloporphyrins: Synthesis and Catalysis

P. Bhyrappa、James K. Young、Jeffrey S. Moore 等 4 位作者1996-01-01Journal of the American Chemical Society

A new class of sterically hindered dendrimer-metalloporphyrins was synthesized for use as shape-selective oxidation catalysts. A series of oxidatively robust poly(phenylesters) dendrimers were prepared through a convergent synthesis. Monodendrons were appended to the meta -positions of the 5,10,15,20-tetrakis(3‘,5‘-hy…

Porphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Mesoporous Titanosilicate Molecular Sieves Prepared at Ambient Temperature by Electrostatic (S+I-, S+X-I+) and Neutral (S°I°) Assembly Pathways: A Comparison of Physical Properties and Catalytic Activity for Peroxide Oxidations

Wenzhong Zhang、Michael Fröba、Jialiang Wang 等 6 位作者1996-01-01Journal of the American Chemical Society

Hexagonal mesoporous titanosilicates with distinguishable framework charges and textural mesoporosity, namely, Ti-MCM-41 and Ti-HMS, were prepared at ambient temperature by electrostatic and neutral assembly processes, respectively. Titanium incorporation at the 2 mol % level for both materials was accompanied by incr…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications