Search results for "functional"

Knowledge-building patterns in educational dialogue

2017

This study aimed to examine knowledge-building patterns in Grade 6 educational dialogues. The data consisted of 20 video-recorded lessons from the classes taught by seven teachers, selected by using a latent profile analysis and examined with a qualitative functional analysis of classroom talk. Episodes of educational dialogue were found to represent three main types of knowledge, based on facts, views and experiences. These three types were further identified as forming six diverse knowledge-building patterns in educational dialogues. The findings indicated that factual orientation dominated the Grade 6 lesson dialogues. However, factual knowledge building often occurred with the other two…

Syntheses of Trifluoroethylated N-Heterocycles from Vinyl Azides and Togni’s Reagent Involving 1,n-Hydrogen-Atom Transfer Reactions

2020

2,2,2-Trifluoroethyl-substituted 3-oxazolines, 3-thiazolines, and 5,6-dihydro-2H-1,3-oxazines have been obtained by reacting substituted vinyl azides with a combination of Togni’s reagent and substoichiometric amounts of iron(II) chloride. The results of density functional theory calculations support the proposed mechanism involving 1,n-hydrogen-atom transfer reactions. peerReviewed

Chalcogen‐Bonding Interactions in Telluroether Heterocycles [Te(CH2)m]n (n=1-4; m=3-7)

2020

The Te…Te secondary bonding interactions (SBI) in solid heterocyclic telluroethers were explored by preparing and structurally characterizing a series of [Te(CH2)m]n (n = 1‐4; m = 3‐7) species. The SBIs in 1,7‐Te2(CH2)10, 1,8‐Te2(CH2)12, 1,5,9‐Te3(CH2)9, 1,8,15‐Te3(CH2)18, 1,7,13,19‐Te4(CH2)20, 1,8,15,22‐Te4(CH2)24, and 1,9,17,25‐Te4(CH2)28 led to the tubular packing of the molecules, as has been observed previously for related thio‐ and selenoether rings. The nature of the intermolecular interactions was explored by solid‐state PBE0‐D3/pob‐TZVP calculations involving periodic boundary conditions. The packing of molecules in 1,7,13,19‐Te4(CH2)20, 1,8,15,22‐Te4(CH2)24, and 1,9,17,25‐Te4(CH2)…

β and γ bands in N = 88, 90, and 92 isotones investigated with a five-dimensional collective Hamiltonian based on covariant density functional theory…

2019

A comprehensive systematic study is made for the collective β and γ bands in even-even isotopes with neutron numbers N=88 to 92 and proton numbers Z=62(Sm) to 70 (Yb). Data, including excitation energies, B(E0) and B(E2) values, and branching ratios from previously published experiments are collated with new data presented for the first time in this study. The experimental data are compared to calculations using a five-dimensional collective Hamiltonian (5DCH) based on the covariant density functional theory (CDFT). A realistic potential in the quadrupole shape parameters V(β,γ) is determined from potential energy surfaces (PES) calculated using the CDFT. The parameters of the 5DCH are fixe…

Gas phase behavior of radical cations of perfluoroalkyl-1,2,4-triazines: an experimental and theoretical study

2009

Electron ionization mass spectrometry and low-energy collision-induced decomposition reactions occurring in a tridimensional ion trap, together with density functional theory (DFT) calculations on neutrals, even- and odd-electron cations, have been used to study the gas-phase ion chemistry of a series of perfluoroalkyl-1,2,4-triazines. Loss of oxygen, due to thermal degradation occurring before ionization, likely involving the hydroxylamino group, has been observed. Compounds having a carbonyl group at position 6 of the triazine ring fragment in the source by elimination of NO followed by HF or CO. The decomposition pathways occurring due to CID experiments have shown interesting features d…

Nanodevices by DNA based gold nanostructures

2017

In this thesis DNA based structures were utilized to create gold nanostructures for nanosensing and nanoelectronic applications. In the past, both of these fields have been dominated by the conventional lithography methods, e.g., electron beam lithography and UV-lithography, but more recently scaling down the components by these techniques has become increasingly more complex and costly. Especially in the micro- and nanoelectronics, the increase in the component density and thus computational power would require fabrication of sub-10-nm components, which is challenging for the top-down approaches. Aforementioned developments have led researchers to seek alternative methods to fabricate these…

Structure of superheavy nuclei along decay chains of element 115

2014

[Introduction] A recent high-resolution α , X -ray, and γ -ray coincidence-spectroscopy experiment offered the first glimpse of excitation schemes of isotopes along α -decay chains of Z = 115. To understand these observations and to make predictions about shell structure of superheavy nuclei below 288 115, we employ two complementary mean-field models: the self-consistent Skyrme energy density functional approach and the macroscopic-microscopic Nilsson model. We discuss the spectroscopic information carried by the new data. In particular, candidates for the experimentally observed E 1 transitions in 276 Mt are proposed. We find that the presence and nature of low-energy E 1 transitions in w…

Non-elected Political Elites in the EU

2017

With globalization and Europeanization, profound changes have taken place in the composition and structure of elites. Once solidly tied to the nation state, elites have, following processes of differentiation and specialization, become more transnational than ever before. Their development has been conditioned by the evolving relationship between international, transnational, and national powers. In the European context, key institutional players today include the European Commission, the European Ombudsman and the European Court of Justice as aspiring representatives of the general European interest and the Council of Ministers and member states as representing national interests in the EU…

Functional a posteriori error equalities for conforming mixed approximations of elliptic problems

2014

Electromagnetic wave propagation in non-homogeneous waveguides

2015

We investigate an electromagnetic waveguide, having several cylindrical ends. The waveguide is assumed to be empty and to have a perfectly conductive boundary. We study the electromagnetic field, excited in the waveguide in the presence of charges and currents. The field can be described as a solution of the stationary Maxwell system with conductive boundary conditions and “intrinsic” radiation conditions at infinity. We prove the problem to be well-posed. Electromagnetic waves propagation in the waveguide can be described by means of a scattering matrix. We introduce such a matrix for all values of the spectral parameter k in the waveguide continuous spectrum and study its properties. Moreove…