Search results for " Br"

showing 10 items of 6485 documents

Single crystal-like thin films of blue bronze

2021

Abstract Pulsed laser deposition technique was employed to grow thin films of K 0.3 M o O 3 on A l 2 O 3 (1-102) and S r T i O 3 (510) substrates. Structural and imaging characterization revealed good quality films with well oriented grains of few microns in length. Both non-selective (transport) and order-selective (femtosecond pump-probe spectroscopy) probes revealed charge density wave properties that are very close to those of the single crystals. The films exhibit metal-semiconductor phase transition in resistivity, pump-probe data show phase transition at the same temperature as the single crystal and the threshold for the photo-induced phase transition is approximately the same as in…

010302 applied physicsPhase transitionMaterials scienceMetals and AlloysAnalytical chemistry02 engineering and technologySurfaces and Interfaces021001 nanoscience & nanotechnology01 natural sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsPulsed laser depositionBlue bronze (BB) ; Charge density waves (CDW) ; Thin films ; Single crystal-like ; Ultrafast pump-probe spectroscopyElectrical resistivity and conductivity0103 physical sciencesFemtosecondMaterials ChemistryThin film0210 nano-technologySpectroscopySingle crystalCharge density waveThin Solid Films
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On the N1-H and N3-H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF/CASPT2 Study.

2015

The dissociative electron-attachment (DEA) phenomena at the N1-H and N3-H bonds observed experimentally at low energies (<3 eV) in uracil are studied with the CASSCF/CASPT2 methodology. Two valence-bound π(-) and two dissociative σ(-) states of the uracil anionic species, together with the ground state of the neutral molecule, are proven to contribute to the shapes appearing in the experimental DEA cross sections. Conical intersections (CI) between the π(-) and σ(-) are established as the structures which activate the DEA processes. The N1-H and N3-H DEA mechanisms in uracil are described, and experimental observations are interpreted on the basis of two factors: (1) the relative energy of …

010304 chemical physicsChemistryHydrogen bondUracilElectronBond breaking010402 general chemistry01 natural sciencesDissociation (chemistry)0104 chemical sciencesComputer Science ApplicationsCrystallographychemistry.chemical_compoundLow energyComputational chemistry0103 physical sciencesPhysical and Theoretical ChemistryGround stateNeutral moleculeJournal of chemical theory and computation
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Estimation des incertitudes de mesure sur bras polyarticulé portable par méthode de Monte Carlo

2013

International audience; Les bras polyarticulés portables ont progressivement évolué et sont de plus en plus utilisés dans l’industrie. Cependant, à l’heure actuelle, la traçabilité de ces dispositifs est difficile à effectuer et les incertitudes de mesures relatives à l’utilisation de ces appareils ne sont pas quantifiées. Le travail mené consiste à déterminer les incertitudes de mesures associées à la quantification, par un bras polyarticulé portable, des caractéristiques géométriques et dimensionnelles d’une pièce mécanique. Les travaux visant à élaborer un modèle d’incertitude de mesure, sont basés sur la méthode de Monte Carlo du supplément 1 du Guide pour l'expression de l'incertitude …

010309 optics[ SPI.MECA.GEME ] Engineering Sciences [physics]/Mechanics [physics.med-ph]/Mechanical engineering [physics.class-ph]020303 mechanical engineering & transports0203 mechanical engineeringIncerrtitudes des bras de mesure polyarticulé0103 physical sciences02 engineering and technology[SPI.MECA.GEME] Engineering Sciences [physics]/Mechanics [physics.med-ph]/Mechanical engineering [physics.class-ph]01 natural sciences[SPI.MECA.GEME]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Mechanical engineering [physics.class-ph]
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Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Me…

2020

Metal–ligand coordination interactions are usually much stronger than weak intermolecular interactions. Nevertheless, here, we show experimental evidence and theoretical confirmation of a very rare...

010405 organic chemistryLigandIntermolecular forceHexacyanoferrate IITrimerBond breaking010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMetalchemistry.chemical_compoundCrystallographyMonomerchemistryvisual_artvisual_art.visual_art_mediumPhysical and Theoretical ChemistryInorganic Chemistry
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Deprotonation of Benzoxazole and Oxazole Using Lithium Magnesates

2005

International audience; The first deprotonations of oxazole and benzoxazole using lithium magnesates are described. The reactions occurred in tetrahydrofuran at room temperature using 1/3 equiv of lithium tributylmagnesate. As 2-lithiooxazole and 2-lithiobenzoxazole, lithium tri(2-oxazolyl)magnesate and lithium tri(2-benzoxazolyl)magnesate very rapidly and completely isomerized to the more stable 2-(isocyano)enolate and 2-(isocyano)phenolate type structures, respectively, a result shown by NMR analysis. The isolation of 2-substituted oxazoles and benzoxazoles in medium to good yields after electrophilic trapping was interpreted in two ways:  (1) the equilibration between the open and closed…

010405 organic chemistryLithium bromide[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic Chemistrychemistry.chemical_element[CHIM.THER]Chemical Sciences/Medicinal Chemistry[CHIM.MATE]Chemical Sciences/Material chemistry[CHIM.CATA]Chemical Sciences/CatalysisBenzoxazole[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryPhotochemistry01 natural sciencesMedicinal chemistry0104 chemical scienceschemistry.chemical_compoundDeprotonationchemistryIntramolecular forceElectrophile[CHIM]Chemical SciencesLithium[CHIM.RADIO]Chemical Sciences/RadiochemistryTetrahydrofuranOxazole
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Magnetostructural correlations in CuII−NC−WV linkage: the case of [CuII(diimine)]2+−[WV(CN)8]3− 0D assemblies

2009

International audience; We report on the syntheses, crystal structures, and magnetic properties of two cyano-bridged molecular assemblies: [CuII(phen)3]2{[CuII(phen)2]2[WV(CN)8]2}(ClO4)2·10H2O (phen = 1,10-phenanthroline) (1) and {[CuII(bpy)2]2[WV(CN)8]} {[CuII(bpy)2][WV(CN)8]}·4H2O (bpy = 2,2′-bipyridyl) (2). Compound 1 consists of cyano-bridged [CuII2WV2]2− molecular rectangles and isolated [CuII(phen)3]2+ complexes. The molecular structure of 2 reveals cyano-bridged trinuclear [CuII2WV]+ and dinuclear [CuIIWV]− ions. Magnetic interactions in 1 are interpreted in terms of the model of a tetranuclear moiety consisting of two ferromagnetic CuII−NC−WV units (J1 = +39(4) cm−1) interacting ant…

010405 organic chemistryStereochemistryChemistryCrystal structureCrystal structureMagnetic response[CHIM.MATE]Chemical Sciences/Material chemistry010402 general chemistry01 natural sciencesAntiferromagnetic coupling0104 chemical sciencesIonInorganic ChemistryCrystallographyFerromagnetismTheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYMagnetic propertiesMoleculeMoietyChemical synthesisPhysical and Theoretical ChemistryCyano bridged molecular assembliesDiimine
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Coastal precipitation regimes in Kenya.

1997

Kenya is under the influence of the seasonal reversal of the Indian ocean monsoons. However, its coastal belt, up to about 50 km inland, exhibits original climatic features. Hierarchical clustering...

010504 meteorology & atmospheric sciencesAtmospheric circulation[SHS.GEO] Humanities and Social Sciences/GeographyGeography Planning and Development0207 environmental engineeringSoil resilienceGeology02 engineering and technology[SHS.GEO]Humanities and Social Sciences/GeographySeasonality010502 geochemistry & geophysicsMonsoonmedicine.disease01 natural sciences[ SHS.GEO ] Humanities and Social Sciences/GeographyIndian oceanSea breeze13. Climate actionClimatologymedicineEnvironmental sciencePrecipitationSurface runoff020701 environmental engineering0105 earth and related environmental sciences
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On numerical broadening of particle size spectra: a condensational growth study using PyMPDATA 1.0

2021

Abstract. The work discusses the diffusional growth in particulate systems such as atmospheric clouds. It focuses on the Eulerian modeling approach in which the evolution of the probability density function describing the particle size spectrum is carried out using a fixed-bin discretization. The numerical diffusion problem inherent to the employment of the fixed-bin discretization is scrutinized. The work focuses on the applications of MPDATA family of numerical schemes. Several MPDATA variants are explored including: infinite-gauge, non-oscillatory, third-order-terms and recursive antidiffusive correction (double pass donor cell, DPDC) options. Methodology for handling coordinate transfor…

010504 meteorology & atmospheric sciencesDiscretizationComputer scienceEulerian pathProbability density functionNumerical diffusion01 natural sciences010305 fluids & plasmassymbols.namesakeTemporal resolution0103 physical sciencesConvergence (routing)symbolsApplied mathematicsSpurious relationship0105 earth and related environmental sciencesDoppler broadening
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Mapping Vegetation Density in a Heterogeneous River Floodplain Ecosystem Using Pointable CHRIS/PROBA Data

2012

River floodplains in the Netherlands serve as water storage areas, while they also have the function of nature rehabilitation areas. Floodplain vegetation is therefore subject to natural processes of vegetation succession. At the same time, vegetation encroachment obstructs the water flow into the floodplains and increases the flood risk for the hinterland. Spaceborne pointable imaging spectroscopy has the potential to quantify vegetation density on the basis of leaf area index (LAI) from a desired view zenith angle. In this respect, hyperspectral pointable CHRIS data were linked to the ray tracing canopy reflectance model FLIGHT to retrieve vegetation density estimates over a heterogeneous…

010504 meteorology & atmospheric sciencesFloodplainWater flowpointable sensors; CHRIS/PROBA; leaf area index (LAI); inversion; radiative transfer (RT) model; FLIGHT; river floodplain ecosystem; vegetation density; hydraulic roughnessleaf area index (LAI)0211 other engineering and technologiesClimate change02 engineering and technologyCHRIS/PROBA01 natural sciencesforestinversionLaboratory of Geo-information Science and Remote SensingLaboratorium voor Geo-informatiekunde en Remote SensingLeaf area indexcoverlcsh:ScienceZenithriver floodplain ecosystem021101 geological & geomatics engineering0105 earth and related environmental sciencesRemote sensinggeographychris-proba datahyperspectral brdf datageography.geographical_feature_categoryFLIGHTFlood mythrhine basinradiative-transfer modelHyperspectral imagingEnhanced vegetation index15. Life on landpointable sensorsPE&RCradiative transfer (RT) modelsugar-beetclimate-changeGeneral Earth and Planetary SciencesEnvironmental sciencehydraulic roughnesslcsh:Qflow resistanceleaf-area indexvegetation densityRemote Sensing
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Recreational noise pollution of traditional festivals reduces the juvenile productivity of an avian urban bioindicator.

2021

Noise is a pollutant of emergent concern for ecologists and conservation biologists. Recreational noise pollution, especially unpredictable and intermittent sounds, and its effects on wildlife and biodiversity have been poorly studied. Researchers have paid very little attention to the effect of noisy traditional festivals (fireworks and powder-guns). This study aimed to explore the effect of these recreational activities on the juvenile productivity of an urban avian bioindicator: the house sparrow. We studied five pairs of localities in the Valencia Region (E Spain) with noisy traditional festivals. Each pair was composed of one locality with festivals during the breeding season and the c…

010504 meteorology & atmospheric sciencesHealth Toxicology and MutagenesisWildlifeBiodiversity010501 environmental sciencesToxicology01 natural sciencesbiology.animalSeasonal breederJuvenileAnimalsHumansHouse sparrowRecreation0105 earth and related environmental sciencesHolidaysSparrowbiologyEnvironmental BiomarkersSARS-CoV-2FireworksCOVID-19General MedicineEcologíaCensusPollutionFisheryPlant BreedingGeographyProductivity (ecology)Communicable Disease ControlRecreational noiseNoiseSparrowsEnvironmental pollution (Barking, Essex : 1987)
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