Search results for "2ND"
showing 10 items of 38 documents
Vācu civilās pārvaldes ekonomiskā politika okupētajā Latvijā 1941.-1944.
2014
Promocijas darbā „Vācu civilās pārvaldes ekonomiskā politika okupētajā Latvijā 1941 – 1944” tiek pētīta vācu ekonomiskā politika Latvijas ģenerālapgabalā, vācu civilās okupācijas pārvaldes pastāvēšanas laikam nosakot pētījuma hronoloģisko ietvaru. Darba galvenā uzmanība tiek pievērsta okupācijas varas saimnieciskai koncepcijai un tās izpausmēm ekonomikā, tostarp lauksaimniecības politikā, ilgstošajā reprivatizācijas jautājumā, rūpniecībā. Skatīta tiek arī Latvijas Zemes pašpārvaldes loma ekonomiskajos procesos, Latvijas iedzīvotāju iesaistīšana sabiedriskajos darbos, gūstekņu nodarbināšana un to kopējā nozīme ekonomikā, kā arī Latvijas iedzīvotāju attieksme pret okupācijas varu saimniecisko…
Interfacial Self-Assembly of Water-Soluble Cationic Porphyrins for the Reduction of Oxygen to Water
2012
Meet at the border: Assembly of the water-soluble cobalt tetrakis(N-methylpyridinium-4-yl)porphyrin [CoTMPyP]4+ at soft interfaces is enhanced and stabilized by its interfacial interaction with the lipophilic anion (C6F5)4B−. The supramolecular structure thus formed (see picture) provides excellent catalytic activity in the four-electron reduction of oxygen.
A Combined Experimental and Theoretical Approach to the Photogeneration of 5,6-Dihydropyrimidin-5-yl Radicals in Nonaqueous Media
2016
The chemical fate of radical intermediates is relevant to understand the biological effects of radiation and to explain formation of DNA lesions. A direct approach to selectively generate the putative reactive intermediates is based on the irradiation of photolabile precursors. But, to date, radical formation and reactivity have only been studied in aqueous media, which do not completely mimic the micro environment provided by the DNA structure and its complexes with proteins. Thus, it is also important to evaluate the photogeneration of nucleoside-based radicals in nonaqueous media. The attention here is focused on the independent generation of 5,6-dihydropyrimidin-5-yl radicals in organic…
Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations
2005
The molecular structures of Se(SCH3)2 and Te(SCH3)2 were investigated using gas-phase electron diffraction (GED) and ab initio and DFT geometry optimisations. While parameters involving H atoms were refined using flexible restraints according to the SARACEN method, parameters that depended only on heavy atoms could be refined without restraints. The GED-determined geometric parameters (rh1) are: rSe-S 219.1(1), rS-C 183.2(1), rC-H 109.6(4) pm; S-Se-S 102.9(3), Se-S-C 100.6(2), S-C-H (mean) 107.4(5), S-Se-S-C 87.9(20), Se-S-C-H 178.8(19)° for Se(SCH3)2, and rTe-S 238.1(2), rS-C 184.1(3), rC-H 110.0(6) pm; S-Te-S 98.9(6), Te-S-C 99.7(4), S-C-H (mean) 109.2(9), S-Te-S-C 73.0(48), Te-S-C-H 180.…
Excited-state non-radiative decay in stilbenoid compounds: An: Ab initio quantum-chemistry study on size and substituent effects
2019
In the framework of optoelectronic luminescent materials, non-radiative decay mechanisms are relevant to interpret efficiency losses. These radiationless processes are herein studied theoretically for a series of stilbenoid derivatives, including distyrylbenzene (DSB) and cyano-substituted distyrylbenzene (DCS) molecules in vacuo. Given the difficulties of excited-state reaction path determinations, a simplified computational strategy is defined based on the exploration of the potential energy surfaces (PES) along the elongation, twisting, and pyramidalization of the vinyl bonds. For such exploration, density functional theory (DFT), time-dependent (TD)DFT, and complete-active-space self-co…
Surface plasmon subwavelength optics.
2003
International audience; Surface plasmons are waves that propagate along the surface of a conductor. By altering the structure of a metal's surface, the properties of surface plasmons- in particular their interaction with light-can be tailored, which offers the potential for developing new types of photonic device. This could lead to miniaturized photonic circuits with length scales that are much smaller than those currently achieved. Surface plasmons are being explored for their potential in subwavelength optics, data storage, light generation, microscopy and bio-photonics.
Optical tuning of dielectric nanoantennas for thermo-optically reconfigurable nonlinear metasurfaces
2021
We demonstrate optically tunable control of second-harmonic generation in all-dielectric nanoantennas: by using a control beam that is absorbed by the nanoresonator, we thermo-optically change the refractive index of the radiating element to modulate the amplitude of the second-harmonic signal. For a moderate temperature increase of roughly 40 K, modulation of the efficiency up to 60% is demonstrated; this large tunability of the single meta-atom response paves the way to exciting avenues for reconfigurable homogeneous and heterogeneous metasurfaces.
Modelling Photoionisation in Isocytosine: Potential Formation of Longer‐Lived Excited State Cations in its Keto Form
2021
Abstract Studying the effects of UV and VUV radiation on non‐canonical DNA/RNA nucleobases allows us to compare how they release excess energy following absorption with respect to their canonical counterparts. This has attracted much research attention in recent years because of its likely influence on the origin of our genetic lexicon in prebiotic times. Here we present a CASSCF and XMS‐CASPT2 theoretical study of the photoionisation of non‐canonical pyrimidine nucleobase isocytosine in both its keto and enol tautomeric forms. We analyse their lowest energy cationic excited states including 2π+ , 2nO+ and 2nN+ and compare these to the corresponding electronic states in cytosine. Investigat…
Energy-energy correlations in hadronic final states from Z0 decays
1990
We have studied the energy-energy angular correlations in hadronic final states from Z0 decay using the DELPHI detector at LEP. From a comparison with Monte Carlo calculations based on the exact second order QCD matrix element and string fragmentation we find that Λ(5)/MS = 104-20 +25 (stat.)-20 +25(syst.)-00 +30(theor.) MeV, which corresponds to αs(91 GeV) = 0.106± 0.003 (stat.)±0.003(syst.)-0.000 +0.003(theor.). The theoretical error stems from different choices for the renormalization scale of αs. In the Monte Carlo simulation the scale of αs as well as the fragmentation parameters have been optimized to described reasonably well all aspects of multihadron production.
Cation Environment of BaCeO3−Based Protonic Conductors II: New Computational Models
2011
Quantum chemical calculations have been carried out to simulate Y-doped BaCeO(3) derivatives. Hartree-Fock energy functional was used to study octahedral site environments embedded in a Pmcn orthorhombic framework, showing local arrangement characterized by Ce-O-Ce, Ce-O-Y, and Y-O-Y (Z-O-Ξ) configurations and including or not hydrogen close to the moieties encompassing those configurations. The latter are, in fact, representative of - and, in our modeling approach, were treated as - local arrangements that could be found in Y:BaCeO(3)-doped materials. The geometrical optimizations performed on the structural models and a detailed orbital analysis of these systems allowed us to confirm and …