Search results for "IFT"
showing 10 items of 2193 documents
Mobilas lietojumprogrammas "Easy Connect" izstrāde
2017
“Easy Connect” lietojumprogramma paredzēta uzņēmuma ikdienas sanāksmju efektīvai izpildei un pārraudzībai. Darba mērķis ir izveidot PPS, kas vislabāk atspoguļo darbinieka vajadzības un savstarpējo komunikāciju kvalitatīvai projekta vadībai. Galvenais uzdevums ir iespējami precīzāk aprakstīt lietojumprogrammas iespējas un izvērtēt vispiemērotākos risinājumus katrai no tām, lai galaprodukts nodrošinātu maksimālu apmierinātību, produktivitāti un lietošanas ērtumu, ievērojot šajā dokumentā aprakstītās metodes. Darba rezultātā tika izstrādāts dokuments, kas iekļauj funkcionālo un nefunkcionālo prasību aprakstus, datu bāzes fiziskos un konceptuālos modeļus, lietotāja saskarnes specifikācijas un c…
Enduring Sacred Places: The Astronomical Orientation of the Iberian Cave-Sanctuary of Cueva Santa del Cabriel in Spain
2019
This paper presents the results of an archaeoastronomical study of the Iberian Iron Age cave-sanctuary of Cueva Santa del Cabriel, near the town of Mira in the province of Cuenca, Castilla-La Mancha, central Spain, together with a review of the latest archaeological and ethnographical data about the site. We found that the cave's 12 m-long access corridor is oriented precisely along the summer solstice sunset, so that the north wall of the main gallery is partially illuminated by sunlight at this time. Although the cave was in use from the Late Chalcolithic, it became an important religious centre in the Iberian period. After an apparent hiatus during the Roman and Islamic occupations, its …
Irradiation effects in CaF2probed by Raman scattering
2016
The formation conditions and dynamics of Ca colloids and point defects that appear in irradiated single crystals of CaF2 were investigated by Raman spectroscopy. The intensity changes in the Raman spectra because of the presence of different concentrations of point defects and Ca colloids that emerged in CaF2 after irradiation with 2.2 GeV Au ions were used to study their distribution and stability under illumination with three laser wavelengths (473, 532 and 633 nm) at different output powers (2 to 200 mW). A damage saturation at a fluence of 6 × 1011 ion cm−2 was observed. The dependence of the spectral changes on the ion fluence can be described by a core/halo damage cross-section model.…
Accumulation of radiation defects and modification of micromechanical properties under MgO crystal irradiation with swift 132Xe ions
2020
This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 and 2019-2020 under grant agreement No. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. A.A. also acknowledges support via the project GF AP05134257 of Ministry of Education and Science of the Republic of Kazakhstan .
Depth profiles of damage creation and hardening in MgO irradiated with GeV heavy ions
2019
This work has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion applications”. The views and opinions expressed herein do not necessarily reflect those of the European Commission.
Carbonyl-functionalized quaterthiophenes: a study of the vibrational Raman and electronic absorption/emission properties guided by theoretical calcul…
2011
This work investigates the evolution of the molecular, vibrational, and optical properties within a family of carbonyl-functionalized quaterthiophenes: 5,5'''-diheptanoyl-2,2':5',2'':5'',2'''-quaterthiophene (1), 5,5'''-diperfluorohexylcarbonyl-2,2':5',2'':5'',2'''-quaterthiophene (2), and 2,7-[bis(5-perfluorohexylcarbonylthien-2-yl)]-4H-cyclopenta[2,1-b:3,4-b']-dithiophene-4-one (3). The analysis is performed by Raman and UV/Vis absorption/excitation/fluorescence spectroscopy in combination with density functional calculations. Theoretical calculations show that substitution with carbonyl groups and perfluorohexyl chains induces progressive quinoidization of the π-conjugated backbone in co…
Structural, electronic and energetic effects in heterocyclic fluorene derivatives fused with a fulvene unit
2019
Abstract A set of 36 heterocyclic (B, N and O) fluorene (C) derivatives fused in nine ways with fulvene ring have been analyzed by means of different local aromaticity criteria. Molecular geometry of analyzed compounds were optimized at B3LYP/6-311++G(2d,2p) level of theory. The evaluation of the local aromaticity has been carried out through the use of the geometry-based harmonic oscillator model of aromaticity (HOMA) and the magnetism-based zz‐component of the nucleus independent chemical shifts calculated 1 A above the ring center (NICS1zz) indices as well as one aromaticity index derived from the Quantum Theory Atoms in Molecules (QTAIM), i.e. the para-delocalization index (PDI). Additi…
Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble …
2015
Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles …
Effect of molecular Stokes shift on polariton dynamics
2021
When the enhanced electromagnetic field of a confined light mode interacts with photoactive molecules, the system can be driven into the regime of strong coupling, where new hybrid light-matter states, polaritons, are formed. Polaritons, manifested by the Rabi split in the dispersion, have shown potential for controlling the chemistry of the coupled molecules. Here, we show by angle-resolved steady-state experiments accompanied by multi-scale molecular dynamics simulations that the molecular Stokes shift plays a significant role in the relaxation of polaritons formed by organic molecules embedded in a polymer matrix within metallic Fabry-Pérot cavities. Our results suggest that in the case …
2,4,5-Triaryl imidazole probes for the selective chromo-fluorogenic detection of Cu(II). Prospective use of the Cu(II) complexes for the optical reco…
2019
The sensing behaviour toward metal cations and biothiols of two 2,4,5-triarylimidazole probes (3a and 3b) is tested in acetonitrile and in acetonitrile-water. In acetonitrile the two probes present charge-transfer absorption bands in the 320-350 nm interval. Among all cations tested only Cu(11) is able to induce bathochromic shifts of the absorption band in the two probes, which is reflected in marked colour changes. Colour modulations are ascribed to the formation of 1:1 Cu(II)-probe complexes in which the cation interacts with the imidazole acceptor heterocycle. Besides, the two probes present intense emission bands (at 404 and 437 nm for 3a and 3b respectively) in acetonitrile that are q…