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Two glasses, the first one with the composition of Li2O·2SiO2 and the second one with the addition of CaO, P2O5 and CaF2 in the stoichiometric ratio corresponding to fluoroapatite were prepared and their tendency to crystallize has been studied
by non-isothermal DTA analysis. The values of kinetic parameters calculated using the isoconversional integral method have
been used to determine the temperature dependencies of both the length of isothermal induction period and the length of overall
isothermal crystallization for both glasses. The estimated dependencies indicate that the glass containing CaO, P2O5 and CaF2 has a lower thermal stability. 相似文献
84.
Eva Hoffmann GyÖrgy Marko-Varga Istvan Csiky Jan Årke JÖnsoon 《International journal of environmental analytical chemistry》2013,93(1-3):161-171
Abstract A three-column ion chromatographic system for the removal of humic substances from natural waters, and subsequent on-line concentration and determination of nitrate and sulfate using non-suppressed ion chromatography is presented. Humic substances are removed using disposable adsorption columns packed with chemically bonded amine silica material. The sample is directly transfered to an ion exchange column where the anions are concentrated ca 10 times. After reversing the flow, the ions are transferred to a third column where they are separated and quantified. The detection limit is less than 1 mg L?1 of nitrate or sulfate in water containing 45mgL?1 of humic acid. 相似文献
85.
Huebl H Stegner AR Stutzmann M Brandt MS Vogg G Bensch F Rauls E Gerstmann U 《Physical review letters》2006,97(16):166402
The hyperfine interaction of phosphorus donors in fully strained Si thin films grown on virtual Si(1-x)Ge(x) substrates with x< or =0.3 is determined via electrically detected magnetic resonance. For highly strained epilayers, hyperfine interactions as low as 0.8 mT are observed, significantly below the limit predicted by valley repopulation. Within a Green's function approach, density functional theory shows that the additional reduction is caused by the volume increase of the unit cell and a relaxation of the Si ligands of the donor. 相似文献
86.
Classification is concerned with the development of rules for the allocation of observations to groups, and is a fundamental
problem in machine learning. Much of previous work on classification models investigates two-group discrimination. Multi-category
classification is less-often considered due to the tendency of generalizations of two-group models to produce misclassification
rates that are higher than desirable. Indeed, producing “good” two-group classification rules is a challenging task for some
applications, and producing good multi-category rules is generally more difficult. Additionally, even when the “optimal” classification
rule is known, inter-group misclassification rates may be higher than tolerable for a given classification model. We investigate
properties of a mixed-integer programming based multi-category classification model that allows for the pre-specification
of limits on inter-group misclassification rates. The mechanism by which the limits are satisfied is the use of a reserved
judgment region, an artificial category into which observations are placed whose attributes do not sufficiently indicate membership
to any particular group. The method is shown to be a consistent estimator of a classification rule with misclassification
limits, and performance on simulated and real-world data is demonstrated. 相似文献
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88.
Dr. Eva Kirchner Dr. David Bialas Prof. Frank Würthner 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(48):11294-11301
Exciton coupling between different types of chromophores has been rarely investigated. Herein, a systematic study on the exciton coupling between merocyanine chromophores of different conjugation length with varying excited state energies is presented. In this work well-defined hetero-dimer stacks were obtained upon folding of bis(merocyanine) dyes in nonpolar solvents. They show distinctly different absorption properties in comparison with the spectra of the single chromophores, revealing a significant coupling between the different chromophores. The simulated absorption spectra obtained from time-dependent density functional theory (TD-DFT) calculations are in good agreement with the experimental spectra. Our theoretical analysis based on an extension of Kasha's exciton theory discloses strong coupling between the dyes’ transition dipole moments despite of an excited-state energy difference of 0.60 eV between the chromophores. 相似文献
89.
90.
Dr. Marzia Dell'Aera Dr. Filippo Maria Perna Dr. Paola Vitale Dr. Angela Altomare Prof. Alessandro Palmieri Dr. Lewis C. H. Maddock Leonie J. Bole Dr. Alan R. Kennedy Prof. Eva Hevia Prof. Vito Capriati 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(40):8742-8748
We report the first transition metal catalyst- and ligand-free conjugate addition of lithium tetraorganozincates (R4ZnLi2) to nitroolefins. Displaying enhanced nucleophilicity combined with unique chemoselectivity and functional group tolerance, homoleptic aliphatic and aromatic R4ZnLi2 provide access to valuable nitroalkanes in up to 98 % yield under mild conditions (0 °C) and short reaction time (30 min). This is particularly remarkable when employing β-nitroacrylates and β-nitroenones, where despite the presence of other electrophilic groups, selective 1,4 addition to the C=C is preferred. Structural and spectroscopic studies confirmed the formation of tetraorganozincate species in solution, the nature of which has been a long debated issue, and allowed to unveil the key role played by donor additives on the aggregation and structure of these reagents. Thus, while chelating N,N,N’,N’-tetramethylethylenediamine (TMEDA) and (R,R)-N,N,N’,N’-tetramethyl-1,2-diaminocyclohexane (TMCDA) favour the formation of contacted-ion pair zincates, macrocyclic Lewis donor 12-crown-4 triggers an immediate disproportionation process of Et4ZnLi2 into equimolar amounts of solvent-separated Et3ZnLi and EtLi. 相似文献