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Wyniki wyszukiwania dla: CLUSTER SYSTEMS
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Spatial and vertical distribution analysis of heavy metals in urban retention tanks sediments: a case study of Strzyza Stream
PublikacjaConcentrations of seven heavy metals (HMs): Zn, Cu, Pb, Cd, Ni, Cr, and Fe in core samples of bottom sediments from four retention tanks (RTs) located along the Strzyza Stream in northern Poland (Gdansk) were measured to obtain a general view of sediment quality. The recognition of contamination and potential environmental impacts is the main aim of this paper. A total of 96 sediment samples were collected from eight sampling sites...
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Understanding the kinetics and atmospheric degradation mechanism of chlorotrifluoroethylene (CF2=CFCl) initiated by OH radicals
PublikacjaThe atmospheric degradation of chlorotrifluoroethylene (CTFE) by OH˙ was investigated using density functional theory (DFT). The potential energy surfaces were also defined in terms of single-point energies derived from the linked cluster CCSD(T) theory. With an energy barrier of −2.62 to −0.99 kcal mol−1 using the M06-2x method, the negative temperature dependence was determined. The OH˙ attack on Cα and Cβ atoms (labeled pathways...
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublikacjaThe present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublikacjaThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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Scheduling of compatible jobs on parallel machines
PublikacjaThe dissertation discusses the problems of scheduling compatible jobs on parallel machines. Some jobs are incompatible, which is modeled as a binary relation on the set of jobs; the relation is often modeled by an incompatibility graph. We consider two models of machines. The first model, more emphasized in the thesis, is a classical model of scheduling, where each machine does one job at time. The second one is a model of p-batching...
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Phytoavailability of potentially toxic elements from industrially contaminated soils to wild grass
PublikacjaTopsoil and grass samples from 14 sites located in different distances from three copper mining factories and a copper smelter were collected in Srednogorie, Bulgaria. The paper discusses results of studies on the mobility of potentially toxic elements (As, Cd, Cr, Cu, Mn, Ni, Pb, Zn) from contaminated soils to wild grass Cynodon dactylon in terms of transfer (TF: soil to plant) and phytoavailability (PF: EDTA (ethylenediaminetetraacetic...