Search results for "SAPT"
showing 9 items of 9 documents
Tra ambiguità e malinteso: schermaglie di una «battaglia per l’identità» in una conversazione tra mafiosi
2015
Gli scambi comunicativi tra membri di Cosa Nostra sono regolati dalla duplice restrizione della legge del silenzio verso il mondo esterno e dall'obbligo di dire la verità all'interno del sodalizio. A tal fine, il linguaggio mafioso ricorre all’obliquità semantica che fornisce ai parlanti un ampio margine di libertà consentendo loro di non esplicitare le proprie reali intenzioni. È questa la ragione per la quale Tommaso Buscetta ha definito Cosa Nostra come "il regno dei discorsi incompleti". L'ordine del discorso mafioso si basa spesso sulla pratica di quello che Jankélévitch ha definito il "malinteso doppiamente beninteso” uno scambio che si fonda non tanto su una falsa relazione quanto su…
The nature of inter- and intramolecular interactions in F2OXe…HX (X= F, Cl, Br, I) complexes
2015
Electronic structure of the XeOF2 molecule and its two complexes with HX (X= F, Cl, Br, I) molecules have been studied in the gas phase using quantum chemical topology methods: topological analysis of electron localization function (ELF), electron density, ρ(r), reduced gradient of electron density |RDG(r)| in real space, and symmetry adapted perturbation theory (SAPT) in the Hilbert space. The wave function has been approximated by the MP2 and DFT methods, using APF-D, B3LYP, M062X, and B2PLYP functionals, with the dispersion correction as proposed by Grimme (GD3). For the Xe-F and Xe=O bonds in the isolated XeOF2 molecule, the bonding ELF-localization basins have not been observed. Accord…
Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone system
2013
[EN] The thermal and Lewis acid (LA) catalyzed cyclizations of quinone 1 involved in the synthesis of Colombiasin A and Elipsaterosin B have been theoretically studied using DFT methods at the B3LYP/6-311G(d,p) computational level. B3LYP calculations suggest that the formal endo [4 + 2] cycloadduct allowing the synthesis of Colombiasin A is preferentially formed under thermal conditions, while in the presence of the BF3 LA catalyst the formal [5 + 2] cycloadduct is seen, allowing the synthesis of Elipsaterosin B. The BF3 LA catalyst not only accelerates the nucleophilic attack on the C2 carbon of the quinone framework through a more polar C-C bond formation, but also provokes a different el…
Visaptverošs ekonomikas un tirdzniecības nolīgums (CETA)starp ES un Kanādu: ģeogrāfiskās izcelsmes norāžu aizsardzība
2017
Maģistra darba ietvaros tiek analizēta zinātniskā literatūra par Visaptverošo ekonomikas un tirdzniecības nolīgumu, kas ir jauns nolīgums, par kuru vienojās ES un Kanāda. Maģistra darba mērķu sasniegšanai tika pētītas dažādas tirdzniecības teorijas, kā arī īpašā uzmanība tika pievērsta PTO lomai tirdzniecības liberalizācijā un RTV un BTZ problēmām mūsdienas protekcionisma ietekmē. Padziļināti tika izpētītas ģeogrāfiskas izcelsmes norādes, to jo īpaši to aizsardzība ES likumdošanā un VETN. Pētījumā rezultāta tika noskaidrotas priekšrocības un iespējamas problēmas, ko dod Visaptverošs ekonomikas un tirdzniecības nolīgums attiecībā uz ģeogrāfiskas izcelsmes norāžu aizsardzību.
Complexes of HXeY with HX (Y, X = F, Cl, Br, I) : Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis
2023
A comprehensive analysis of the intermolecular interaction energy and anharmonic vibrations of 41 structures of the HXeY· · · HX (X, Y = F, Cl, Br, I) family of noble-gas-compound complexes for all possible combinations of Y and X was conducted. New structures were identified, and their interaction energies were studied by means of symmetry-adapted perturbation theory, up to secondorder corrections: this provided insight into the physical nature of the interaction in the complexes. The energy components were discussed, in connection to anharmonic frequency analysis. The results show that the induction and dispersion corrections were the main driving forces of the interaction, and that their…
Prevencijas sistēma pašvaldībās seksuālas vardarbības pret bērnu novēršanai
2022
Seksuāla vardarbība pret bērnu ir bērnu tiesību pārkāpums. Bērns var tikt pakļauts kādai no seksuālas vardarbības formām jebkurā vecuma posmā. Pieredzētā seksuālā vardarbība uz bērnu atstāj gan īstermiņa, gan ilgtermiņa sekas, kas ietekmē bērna turpmāko dzīvi un labbūtību (wellfare). Pieejamie statiskais dati norāda, ka visbiežāk seksuālas vardarbības veicējs ir kāds, kuru bērns pazīst. Tāpat arī ir identificētas dažādas riska grupas un faktori, kuri veicina seksuālas vardarbības pret bērnu iespējamību. Seksuālas vardarbības pret bērnu prevencei mikro, mezo un makro praksē, nepieciešams realizēt preventīvas aktivitātes visos trīs prevences līmeņos. Primārā līmenī, sniedzot universālu atbals…
Le paysage, entre esthétique & écologie : modélisation rétrospective à partir de changements d'occupation du sol
2016
Landscape is both a backdrop to the lives of human populations and a medium for the life cycle of animal species. Landscape changes induced by land-use and land-cover dynamics affect both these dimensions, the one aesthetic, and the other ecological. Because these rationales areusually studied within different disciplines, little research has been done into how the two clashor combine as and when landscape structures change. This work seeks therefore to model the spatial co-evolution of the aesthetic and ecological functions of landscape retrospectively usingspatial metrics based on land-cover data. It focuses on changes in the urban fringes of two French cities (Paris and Besançon) over th…
Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes
2018
Ab initio calculations of the structures, vibrational spectra and supermolecular and symmetry-adapted perturbation theory (SAPT) interaction energies of the HXeOH and HXeSH complexes with H2O and H2S molecules are presented. Two minima already reported in the literature were reproduced and ten new ones were found together with some transition states. All complexes show blue shift in Xe&ndash
Komercbanku uzraudzība Latvijā
2016
Bakalaura darba tēma ir komercbanku uzraudzība Latvijā. Komercbanku veiksmīga un stabila darbība ir pozitīvs faktors kopējā valsts finanšu sistēmā, un, lai pilnveidotu banku darbības stabilitāti, nepieciešama atbilstoša uzraudzība un kontrole. Bakalaura darba mērķis ir, pamatojoties uz zinātnisko literatūru un Latvijas normatīvo noteikumu un likumu bāzes izpēti attiecībā uz komercbanku darbību un uzraudzību, analizēt banku sektora prasību izpildi atbilstoši Finanšu un kapitāla tirgus komisijas noteiktajām prasībām, kā arī, pamatojoties uz Vienotā uzraudzības mehānisma visaptverošā novērtējuma rezultātiem, analizēt iesaistīto Latvijas banku uzrādītos rezultātus. Bakalaura darba mērķa sasnieg…