Search results for "Decomposition"
showing 10 items of 766 documents
Scalar glueball spectrum
2006
I discuss scenarios for scalar glueballs using arguments based on sum rules, spectral decomposition, the $\frac{1}{{N}_{c}}$ approximation, the scales of the strong interaction and the topology of the flux tubes. I analyze the phenomenological support of those scenarios and their observational implications. My investigations hint a rich low lying glueball spectrum.
Microgel regions in dilute agarose solutions: the notion of non-gelling concentration, and the role of spinodal demixing
1991
Abstract Freely drifting microgel regions are found in aqueous solutions of agarose, a representative biostructural polysaccharide, at concentrations between 0.01% and 0.05% w/v when quenched from 100°C to lower temperature. The size of these domains depends on the quench temperature and agarose concentration. The results agree with recent findings on the role that fluctuations within or close to the instability region of solution have as the initial step towards the self-assembly of supramolecular structures, and throw a new light on the notion of the lowest solute concentration needed for gelation.
Hemmung Des Chininabbaus Mit N-Methylnicotins�ureamid Im Tierversuch
1951
In der Arbeit ergibt sich im Durchschnitt eine merklich hohere Chininkonzentration in den Organen nach Injektion von N1-Methylnicotinsaureamid, wobei die Unterschiede in der Lunge am deutlichsten hervortreten. Hier liegen auch die Chininwerte im Leerversuch am hochsten.
Low-Rank Tucker-2 Model for Multi-Subject fMRI Data Decomposition with Spatial Sparsity Constraint
2022
Tucker decomposition can provide an intuitive summary to understand brain function by decomposing multi-subject fMRI data into a core tensor and multiple factor matrices, and was mostly used to extract functional connectivity patterns across time/subjects using orthogonality constraints. However, these algorithms are unsuitable for extracting common spatial and temporal patterns across subjects due to distinct characteristics such as high-level noise. Motivated by a successful application of Tucker decomposition to image denoising and the intrinsic sparsity of spatial activations in fMRI, we propose a low-rank Tucker-2 model with spatial sparsity constraint to analyze multi-subject fMRI dat…
Theoretical Study of the Gas Phase Decomposition of Glycolic, Lactic, and 2-Hydroxyisobutyric Acids
1997
The reaction mechanism associated with the decomposition of three α-hydroxycarboxylic acids (glycolic, lactic, and 2-hydroxyisobutyric) in the gas phase to form carbon monoxide, water, and the corresponding carbonyl compounds has been theoretically characterized by using ab initio analytical gradients at the MP2 level of theory with the 6-31G** and 6-31++G** basis sets. A detailed characterization of the potential energy surface points out the existence of three competitive reaction pathways for the decomposition process. The first pathway describes a two-step mechanism, with water elimination and formation of an α-lactone intermediate, achieved by the nucleophilic attack of the carbonylic …
Study of the thermal decomposition of bromazepan complexes with Co(II), Ni(II), Cu(II) and Zn(II)
1984
Abstract The thermal behaviour of complexes of bromazepan with Co(II), Ni(II), Cu(II) and Zn(II) was studied by thermogravimetry (TG) and differential thermal analysis (DTA). The complexes decompose in two steps: dehydration and decomposition. A correlation between the dehydration temperatures of MB2Xn and the coordinating ability of X is observed.
Pd-catalyzed hydrodehalogenation of chlorinated olefins: Theoretical insights to the reaction mechanism
2012
Abstract Density functional theory calculations are applied to study energetics of trichloroethene (TCE) hydrodechlorination over pure Pd(1 1 1), chlorine-covered Pd(1 1 1), and Pd island supported by Au(1 1 1). Our results show that in all cases C Cl bond breakings take place more readily than C H bond formations and that TCE dechlorinates fully producing CCH precursors for the hydrogenations. The reaction pathway through radical-like species provides a possible explanation to the experimental product distributions that show a nominal amount of lesser chlorinated species in the presence of excess hydrogen. The surface chlorine resulted from the TCE decomposition weakens the binding of the …
A theoretical study on the decomposition mechanism of β-propiolactone and β-butyrolactone
1998
Abstract The reaction mechanism associated with the decomposition of β-propiolactone and β-butyrolactone in the gas phase to form carbon dioxide and ethylene or propene, respectively, has been theoretically characterized by using analytical gradients at the B3LYP/6-31G**, B3LYP/6-31++G**, MP2/6-31G** and MP2/6-31++G** calculation levels, as well as by single point calculations at QCISD(T)/6-31++G**//MP2/6-31++G**. A detailed analysis of the results points out that the reaction pathway can be described as an asynchronous concerted process. The geometrical parameters and the components of the transition vector are weakly dependent on the computational method. By applying transition state theo…
Initial reaction steps in the condensed-phase decomposition of propellants
2002
Understanding the reaction mechanisms for the decomposition of NO2-containing energetic materialsin the condensed phase is critical to our development of detailed kinetic models of these energetic materials in propellant combustion. To date, the reaction mechanisms in the condensed phase have been represented by global reactions. The detailed elementary reactions subsequent to the initial NO2 bond scissioning are not known. Using quantum chemical calculations, we have investigated the possible early steps in the decomposition of energetic materials that can occur in the condensed phase. We have used methylnitrate, methylnitramine, and nitroethane as prototypes for O−NO2, N−NO2 and C−NO2 nit…
Synthesis of Nanoferroics
2013
The Chapter covers the technological aspects of many chemical and physico-chemical nanofabrication methods relevant to making nanoferroic materials and composites. First, the classification of relevant synthesis methods of nanoferroics has been presented. Synthesis of particular nanoferroics with different chemical bonding like metallic, oxide and non-oxide compounds is considered in details. Among the methods, the mechanochemical, sonochemical, hydrothermal, co-precipitation, emulsion, thermal decomposition of unstable precursors have been analyzed. The competition between new phase nucleation and nuclei growth has been revealed to be controlled using feedback between reaction rate and tem…