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Structure and stability of small titanium/oxygen clusters studied by ab initio quantum chemical calculations

Anders Hagfeldt、Robert Bergstroem、Hans Siegbahn 等 4 位作者1993-12-01The Journal of Physical Chemistry

Ab initio calcns. have been performed on TinO2n-δ clusters, with n = 1-3 and δ = 0, 1, as well as on some of their ionized species. The geometries of the different clusters were optimized and vibrational analyses were performed at the ground-state equil. geometries. The Ti-O bond lengths are essentially detd. by the…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Polymeric coordination complexes based on cobalt, nickel, and ruthenium that exhibit synergistic thermal properties

Laurence A. Belfiore、Mary Pat McCurdie、Eiji Ueda1993-12-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPolymeric coordination complexes based on cobalt, nickel, and ruthenium that exhibit synergistic thermal propertiesLaurence A. Belfiore, Mary Pat McCurdie, and Eiji UedaCite this: Macromolecules 1993, 26, 25, 6908–6917Publication Date (Print):December 1, 1993Publication Hist…

Catalysis and Oxidation ReactionsThermal and Kinetic AnalysisFree Radicals and Antioxidants

Liquid substitution: A versatile procedure for SEM specimen preparation of biological materials without drying or coating

H.-J. Ensikat、Wilhelm Barthlott1993-12-01Journal of Microscopy

Certain liquids with a very low vapour pressure, such as glycerol or triethylene glycol, can be used to infiltrate biological specimens so that they may be observed in the scanning electron microscope (SEM) without drying. The conductive properties of the fluids allow specimens to be examined either uncoated or with v…

Corrosion Behavior and InhibitionAdvanced Electron Microscopy Techniques and ApplicationsElectron and X-Ray Spectroscopy Techniques

The origin of infrared marker bands of porphyrin .pi.-cation radicals: infrared assignments for cations of copper(II) complexes of octaethylporphine and tetraphenylporphine

Songzhou Hu、Thomas G. Spiro1993-12-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe origin of infrared marker bands of porphyrin .pi.-cation radicals: infrared assignments for cations of copper(II) complexes of octaethylporphine and tetraphenylporphineSongzhou Hu and Thomas G. SpiroCite this: J. Am. Chem. Soc. 1993, 115, 25, 12029–12034Publication Date…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesMetal-Catalyzed Oxygenation Mechanisms

On the Nucleation of Dislocations at a Crystal Surface

Glenn E. Beltz、L. B. Freund1993-12-01physica status solidi (b)

Abstract An exact expression for the elastic energy associated with a semicircular shear dislocation loop emanating from a free surface is derived (within continuum dislocation theory) and compared with an earlier approximation. The energy required to activate a semicircular dislocation loop into its unstable “saddle‐…

Microstructure and mechanical propertiesForce Microscopy Techniques and ApplicationsSurface and Thin Film Phenomena

Molecular properties of pyruvate formate-lyase activating enzyme

Kenny K. Wong、Brion W. Murray、S Lewisch 等 7 位作者1993-12-01Biochemistry

Pyruvate formate-lyase is a radical-containing enzyme that catalyzes the nonoxidative cleavage of pyruvate via a postulated homolytic mechanism. The formation of this enzymic radical in vitro requires an activating system composed of PFL-activating enzyme, S-adenosylmethionine, ferrous ion, a reduced flavin, DTT, and…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical Acid Research Studies

Protonic defects in oxides and their possible role in high temperature oxidation

Truls Norby1993-12-01Journal de Physique IV (Proceedings)

Abstract.- Protons from hydrogen or water vapour may dissolve in oxides and other corrosion products, and may affect, and in some cases, dominate their defect structures. Defect-dependent properties like scale growth and plastic deformation then become dependent on the ambient hydrogen or water vapour pressure. Small…

Advanced ceramic materials synthesisAdvancements in Solid Oxide Fuel CellsGa2O3 and related materials

Coercivity of Sm-Fe-N ferromagnets produced by the mechanical alloying technique

X.C. Kou、Wu Qiang、H. Kronmüller 等 4 位作者1993-12-01Journal of Applied Physics

Sm-Fe-N permanent magnets have been prepared by mechanical alloying of Sm and Fe powder and subsequently treating the material in a two-step process. Measurements of the minor hysteresis loops and of the initial magnetization curve were performed at room temperature. The reversible susceptibility (χrev), the total sus…

Magnetic properties of thin filmsMagnetic and transport properties of perovskites and related materialsMagnetic Properties of Alloys

Silanol synthesis: reaction of hexaphenylcyclotrisiloxane with organometallic reagents

Scott McN. Sieburth、Weilin Mu1993-12-01The Journal of Organic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSilanol synthesis: reaction of hexaphenylcyclotrisiloxane with organometallic reagentsScott M. Sieburth and Weilin MuCite this: J. Org. Chem. 1993, 58, 26, 7584–7586Publication Date (Print):December 1, 1993Publication History Published online1 May 2002Published inissue 1 Dec…

Radical Photochemical ReactionsMesoporous Materials and CatalysisSynthetic Organic Chemistry Methods

FT-IR study of polymorphic transformations in SOS, POP, and POS

Junko Yano、Satoru Ueno、Kiyotaka Sato 等 7 位作者1993-12-01The Journal of Physical Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFT-IR study of polymorphic transformations in SOS, POP, and POSJunko Yano, Satoru Ueno, Kiyotaka Sato, Toshiharu Arishima, Nobuo Sagi, Fumitoshi Kaneko, and Masamichi KobayashiCite this: J. Phys. Chem. 1993, 97, 49, 12967–12973Publication Date (Print):December 1, 1993Publica…

Enzyme Structure and Function

Asymmetric block copolymer melts near the microphase separation transition: a Monte Carlo simulation

Kurt Binder、H Fried1993-12-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAsymmetric block copolymer melts near the microphase separation transition: a Monte Carlo simulationK. Binder and H. FriedCite this: Macromolecules 1993, 26, 25, 6878–6883Publication Date (Print):December 1, 1993Publication History Published online1 May 2002Published inissue…

Theoretical and Computational PhysicsRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

An improved deviation parameter for the simulation of dynamical X-ray diffraction on epitaxic heterostructures

R. Zaus1993-12-01Journal of Applied Crystallography

X-ray diffraction rocking curves of a strained-layer superlattice structure have been measured at symmetric and asymmetric Bragg reflections and compared with simulated diffraction curves. The calculations are based on dynamical scattering theory. The experimental and theoretical curves exhibit a discrepancy with rega…

Advanced ceramic materials synthesisX-ray Diffraction in CrystallographyCrystallography and Radiation Phenomena

A proton NMR study of the reactions with acid of meso-tetraphenylporphyrins with various numbers of 4-(dimethylamino) groups

Robert I. Walter、Emmanuel Ojadi、Henry Linschitz1993-12-01The Journal of Physical Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA proton NMR study of the reactions with acid of meso-tetraphenylporphyrins with various numbers of 4-(dimethylamino) groupsRobert I. Walter, Emmanuel C. A. Ojadi, and Henry LinschitzCite this: J. Phys. Chem. 1993, 97, 50, 13308–13312Publication Date (Print):December 1, 1993…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesSurface Chemistry and Catalysis

Synthesis and characterization of the polyoxoanion-supported ruthenium(I)-ruthenium(I) tetracarbonyls [(P3O9)2Ru2(CO)4]4- and [(Cp*TiW5O18)2Ru2(CO)4]4-

W. G. Klemperer、Bianxiao Zhong1993-12-01Inorganic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis and characterization of the polyoxoanion-supported ruthenium(I)-ruthenium(I) tetracarbonyls [(P3O9)2Ru2(CO)4]4- and [(Cp*TiW5O18)2Ru2(CO)4]4-Walter G. Klemperer and Bianxiao ZhongCite this: Inorg. Chem. 1993, 32, 25, 5821–5826Publication Date (Print):December 1, 19…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

Fundamentals of gas-surface interactions on metal oxides

Victor E. Henrich、P. A. Cox1993-12-01Applied Surface Science

In an attempt to understand the fundamental ways in which molecules interact with metal-oxide surface, chemisorption has been studied on single-crystal oxide samples. Chemisorption behavior is determined both by the electronic configuration of surface cations and by the geometric structure of the surface. Stoichiometr…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Thermoplastic and thermoset main chain liquid crystal polymers prepared from biphenyl mesogen

Wei‐Fang Su1993-12-01Journal of Polymer Science Part A Polymer Chemistry

Abstract Main chain liquid crystal thermoplastic polyesters and thermosetting epoxy resins were prepared using biphenyl mesogens. The melting points of the polyesters were effectively decreased by incorporating flexible methylene spacers into the polymer main chain. The liquid crystal epoxy resins exhibit high glass t…

Liquid Crystal Research AdvancementsEpoxy Resin Curing ProcessesSynthesis and properties of polymers

Fluorescent tricyclic β‐azavinamidine–BF2 complexes

Govindarao Sathyamoorthi、Mou‐Ling Soong、Timothy W. Ross 等 4 位作者1993-12-01Heteroatom Chemistry

Abstract Boron trifluoride reacted with dipyrid‐2‐ylamine 6 , its N‐methyl and 6,6′‐dimethyl derivatives 8 and 10 , and 3,3′,5,5′‐tetraphenyl‐6‐azapyrromethene 13 to give fluorescent β‐azavinamidine (1,3,5‐triazapenta‐1,3‐diene) dyes: 10‐azapyridomethene–BF 2 complex 5 (λ f 422 nm, λ las 426 nm), its quaternary 10‐met…

Luminescence and Fluorescent MaterialsSynthesis of Organic CompoundsSynthesis and Biological Evaluation

High-pressure, low-temperature, single-crystal neutron diffraction study of deuterated and hydrogenous ammonium hexaaquacopper(II) sulfate (Tutton's salt): a pressure-switchable Jahn-Teller distortion

Charles J. Simmons、Michael A. Hitchman、H. Stratemeier 等 4 位作者1993-12-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHigh-pressure, low-temperature, single-crystal neutron diffraction study of deuterated and hydrogenous ammonium hexaaquacopper(II) sulfate (Tutton's salt): a pressure-switchable Jahn-Teller distortionCharles J. Simmons, Michael A. Hitchman, Horst Stratemeier, and Arthur J. S…

Advanced Chemical Physics StudiesSolid-state spectroscopy and crystallographyInorganic Fluorides and Related Compounds

Synthesis of Smectite from Volcanic Glass at Low Temperature

Katsutoshi Tomita、Hisanori Yamane、M. Kawano1993-12-01Clays and Clay Minerals

Abstract Smectite and zeolites were formed from a volcanic glass as the products of reaction with NaOH solution at 90°C and 100°C under atmospheric pressure. Formation conditions of smectite and various zeolites were determined by the ratio of the amounts of volcanic glass (g) to NaOH (g) in the solution. Smectite was…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisClay minerals and soil interactions

Hexanuclear ferric complexes possessing different degrees of spin frustration

Cheryl Christmas、Hui Lien Tsai、Luca Pardi 等 9 位作者1993-12-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHexanuclear ferric complexes possessing different degrees of spin frustrationCheryl A. Christmas, Hui Lien Tsai, Luca Pardi, Janet M. Kesselman, Peter K. Gantzel, Raj K. Chadha, Dante Gatteschi, Daniel F. Harvey, and David N. HendricksonCite this: J. Am. Chem. Soc. 1993, 115…

Metal complexes synthesis and propertiesMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms