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showing 10 items of 25852 documents

Hexakis(diethylacetamide)iron(II) hexahalorhenate(IV) ionic salts: X-ray structures and magnetic properties

2015

Two novel Fe<sup>II</sup>-Re<sup>IV</sup> compounds of general formula [Fe<sup>II</sup>(DEA)<inf>6</inf>][Re<sup>IV</sup>X<inf>6</inf>] where DEA = diethylacetamide and X = Cl (1) and Br (2) have been prepared and magnetostructurally characterised. Complexes 1 and 2 are isomorphic ionic salts that crystallise in the trigonal crystal system with space group R(-3). The rhenium(IV) ion in 1 and 2 is six-coordinate with six chloro (1) or bromo (2) ligands building a regular octahedral chromophore. The Fe<sup>II</sup> ion is also six-coordinate, and bonded to six oxygen atoms from six DEA molecules. [Fe<sup&gt…

/dk/atira/pure/subjectarea/asjc/1600/1606/dk/atira/pure/subjectarea/asjc/1600/1604Rhenium(IV) complexes/dk/atira/pure/subjectarea/asjc/2500/2505ChemistryInorganic chemistrySupramolecular chemistryIonic bondingchemistry.chemical_elementDiethylacetamideCrystal structureRheniumIron(II) complexesMagnetic susceptibilityX-ray diffractionInorganic ChemistryCrystallographyOctahedronMagnetic propertiesX-ray crystallographyMaterials ChemistryMoleculePhysical and Theoretical ChemistryPolyhedron
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The transition state and cognate concepts

2019

Abstract This review aims firstly to clarify the meanings of key terms and concepts associated with the idea of the transition state, as developed by theoreticians and applied by experimentalist, and secondly to provide an update to the meaning and significance of the transition state in an era when computational simulation, in which complexity is being increasingly incorporated, is commonly employed as a means by which to bridge the realms of theory and experiment. The relationship between the transition state and the potential-energy surface for an elementary reaction is explored, with discussion of the following terms: saddle point, minimum-energy reaction path, reaction coordinate, acti…

/dk/atira/pure/subjectarea/asjc/1600/1606Structure (mathematical logic)Potential-energy surface/dk/atira/pure/subjectarea/asjc/1600/1605Computer scienceActivated complexOrganic ChemistryReaction coordinateTransition stateDividing surfaceEquicommittorState (functional analysis)Reaction coordinateFree-energy surfaceSimple (abstract algebra)Saddle pointElementary reactionPotential energy surfaceComputational simulationStatistical physicsPhysical and Theoretical Chemistry
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Energy transfer in LH2 of Rhodospirillum Molischianum, studied by subpicosecond spectroscopy and configuration interaction exciton calculations.

2001

Two color transient absorption measurements were performed on a LH2 complex from Rhodospirillum molischianum by using several excitation wavelengths (790, 800, 810, and 830 nm) and probing in the spectral region from 790 to 870 nm at room temperature. The observed energy transfer time of ∼1.0 ps from B800 to B850 at room temperature is longer than the corresponding rates in Rhodopseudomonas acidophila and Rhodobacter sphaeroides. We observed variations (0.9-1.2 ps) of B800-850 energy transfer times at different B800 excitation wavelengths, the fastest time (0.9 ps) was obtained with 800 nm excitation. At 830 nm excitation the energy transfer to the B850 ring takes place within 0.5 ps. The m…

/dk/atira/pure/sustainabledevelopmentgoals/affordable_and_clean_energybiologyChemistryExcitonConfiguration interactionbiology.organism_classificationSpectral lineSurfaces Coatings and FilmsRhodobacter sphaeroidesUltrafast laser spectroscopyMaterials ChemistrySDG 7 - Affordable and Clean EnergyPhysical and Theoretical ChemistryAtomic physicsAbsorption (electromagnetic radiation)SpectroscopyExcitation
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Common fixed points of g-quasicontractions and related mappings in 0-complete partial metric spaces

2012

Abstract Common fixed point results are obtained in 0-complete partial metric spaces under various contractive conditions, including g-quasicontractions and mappings with a contractive iterate. In this way, several results obtained recently are generalized. Examples are provided when these results can be applied and neither corresponding metric results nor the results with the standard completeness assumption of the underlying partial metric space can. MSC:47H10, 54H25.

0-complete spaceDiscrete mathematicsInjective metric spaceApplied Mathematicspartial metric space010102 general mathematicsquasicontraction.common fixed pointEquivalence of metrics01 natural sciencesIntrinsic metricConvex metric space010101 applied mathematicsMetric spacefixed pointSettore MAT/05 - Analisi MatematicaMetric (mathematics)Geometry and Topology0101 mathematicsMetric differentialFisher information metricMathematicsFixed Point Theory and Applications
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Mehāniskās aktivācijas ietekme uz nātrija bismuta titanāta keramikas izgatavošanu.

2022

“Mehāniskās aktivācijas ietekme uz nātrija bismuta titanāta keramikas izgatavošanu” Atvars A., zinātniskie darba vadītāji vadošā pētniece Dr. phys. Dunce M. un asoc. prof. Dr. chem. Vaivars G. Bakalaura darbs. (46 lapas, 27 attēli, 49 literatūras avoti, 3 pielikumi). Latviešu valodā Bakalaura darba ietvaros tika veikta nātrija bismuta titanāta (Na0,5Bi0,5TiO3) un cietā šķīduma 0,975(0,94Na0,5Bi0,5TiO3-0,06BaTiO3)-0,025LiNbO3 iegūšana, izmantojot cietfāžu reakcijas metodi, veicot mehānisko aktivāciju vienā no posmiem. Nepieciešamie savienojumi tika iegūti, izmantojot nātrija karbonātu (Na¬2CO3), bismuta (III) oksīdu (Bi2O3), titāna dioksīdu (TiO2), litija karbonātu (Li2CO3), niobija (V) oksī…

0.975(0.94Na05Bi05TiO3-0.06BaTiO3)-0.025LiNbO3MECHANICAL ACTIVATIONSOLID-STATE REACTIONNa05Bi05TiO3Ķīmija
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Derivation of a Homogenized Two-Temperature Model from the Heat Equation

2014

This work studies the heat equation in a two-phase material with spherical inclusions. Under some appropriate scaling on the size, volume fraction and heat capacity of the inclusions, we derive a coupled system of partial differential equations governing the evolution of the temperature of each phase at a macroscopic level of description. The coupling terms describing the exchange of heat between the phases are obtained by using homogenization techniques originating from [D. Cioranescu, F. Murat: Coll\`ege de France Seminar vol. 2. (Paris 1979-1980) Res. Notes in Math. vol. 60, pp. 98-138. Pitman, Boston, London, 1982.]

01 natural sciencesHomogenization (chemistry)Heat capacity010305 fluids & plasmasTwo temperatureMathematics - Analysis of PDEsThermal nonequilibrium models0103 physical sciencesFOS: Mathematics[MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP]0101 mathematicsScalingMSC 35K05 35B2776T05 (35Q79 76M50)35K05 35B27 76T05 (35Q79 76M50)MathematicsNumerical AnalysisHomogenizationPartial differential equationInfinite diffusion limitApplied MathematicsHeat equationMathematical analysis010101 applied mathematicsComputational MathematicsThermal non-equilibrium modelsModeling and SimulationVolume fractionHeat equationAnalysisAnalysis of PDEs (math.AP)
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Hard cap espresso extraction and liquid chromatography determination of bioactive compounds in vegetables and spices

2017

Abstract A new analytical procedure, based on liquid chromatography with diode array and fluorescence detection, has been proposed for the determination of bioactive compounds in vegetables and spices after hard cap espresso extraction. This novel extraction system has been tested for the determination of capsaicin and dihydrocapsaicin from fresh chilli and sweet pepper, piperine from ground pepper, curcumin from turmeric and curry, and myristicin from nutmeg. Extraction efficiency was evaluated by using acetonitrile:water and ethanol:water mixtures. The proposed method allows the extraction of samples with 100 mL of 60% (v/v) ethanol in water. The obtained limits of quantification for the …

01 natural sciencesMyristicaAnalytical ChemistryDihydrocapsaicinchemistry.chemical_compoundEspresso0404 agricultural biotechnologyVegetablesPepperSpicesChromatographybiologyChemistry010401 analytical chemistryExtraction (chemistry)Nutmeg04 agricultural and veterinary sciencesGeneral Medicinebiology.organism_classification040401 food scienceDiode array0104 chemical sciencesMyristicinPiperineCapsicumChromatography LiquidFood ScienceFood Chemistry
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Une structure o-minimale sans décomposition cellulaire

2008

Resume Nous construisons une extension o-minimale du corps des nombres reels qui n'admet pas la propriete de decomposition cellulaire en classe C ∞ . Pour citer cet article : O. Le Gal, J.-P. Rolin, C. R. Acad. Sci. Paris, Ser. I 346 (2008).

010101 applied mathematicsCombinatorics010102 general mathematicsCell structureGeneral MedicineDecomposition method (constraint satisfaction)0101 mathematicsAlgebraic number field01 natural sciencesMathematicsComptes Rendus Mathematique
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F-contractions of Hardy–Rogers-type and application to multistage decision

2016

We prove fixed point theorems for F-contractions of Hardy–Rogers type involving self-mappings defined on metric spaces and ordered metric spaces. An example and an application to multistage decision processes are given to show the usability of the obtained theorems.

010101 applied mathematicsCombinatoricsApplied Mathematics010102 general mathematicslcsh:QA299.6-433F-contractions of Hardy–Rogers type and application to multistage decision processeslcsh:Analysis0101 mathematicsType (model theory)01 natural sciencesAnalysisMathematicsNonlinear Analysis: Modelling and Control
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Characteristic asymptotics for fast chemical reaction

1995

010101 applied mathematicsGeneral Mathematics010102 general mathematicsMathematical analysisStatistical physics0101 mathematics01 natural sciencesChemical reactionMathematicsAsymptotic Analysis
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