987 resultados para HOMO-LUMO energies
Resumo:
Opinnäytetyön tarkoituksena on käsitellä pelaamista toimintana ja tarkastella pelaamista terapeuttisen toiminnan käsitteellisen viitekehyksen kautta. Tavoitteena on löytää perusteita tietokonepelien käyttöön lasten ja nuorten toimintaterapiassa. Opinnäytetyöprosessiani on ohjannut David L. Nelsonin ja Julie Jepson-Thomasin Terapeuttisen toiminnan käsitteellinen viitekehys. Viitekehyksen avulla tutkin millaista terapeuttista toimintaa pelaaminen on. Opinnäytetyön teoriapohja perustuu eri ammattialojen yleisiin pelitutkimuksiin, koska tietokoneella pelaamisen terapeuttisia vaikutuksia on tutkittu hyvin vähän kuntoutuksen näkökulmasta. Opinnäytetyö on laadullinen. Haastattelin kolmea nuorta poikaa heidän pelikokemuksistaan. Opinnäytetyön teoriasta ja aineistosta löytyi useita pelaamiseen vaikuttavia tekijöitä. Niiden perusteella tietokonepelien käyttö lasten ja nuorten toimintaterapiassa on perusteltua koska pelaaminen on lapsille ja nuorille tärkeää ja hyvin motivoivaa toimintaa. Se on merkittävä terapeuttinen tekijä sekä asiakaskeskeisen työskentelytavan ydin. Terapeuttisen toiminnan käsitteellisen viitekehyksen mukaan toiminnan mukautuminen on sitä kun pelaamalla pelaaja muuttaa itseään. Se antaa terapeutille mahdollisuuden työskennellä asiakkaansa tavoitteiden kanssa asiakkaalle hyvin merkityksellisen toiminnan avulla. Terapeutin ja asiakkaan tarkoitukset toiminnalle voivat olla erilaiset, pelaaminen mahdollistaa ne. Toiminnan mukautumista voi tapahtua kaikessa pelaajan kehityksellisessä rakenteessa: sensomotorisessa, kognitiivisessa ja psykososiaalisessa rakenteessa. Pelitutkijoiden tutkimus tukee johtopäätöstä. Pelaamista voi siten käyttää hyvin monen erilaisen asiakasryhmän kanssa. Pelaaminen myös mahdollistaa tavoitteiden toteutuksen varioinnin, tavoitetta voi harjoitella ja kehittää monilla erilaisilla peleillä. Pelaamisen tärkein terapeuttinen tekijä on eläytymisen mahdollisuus. Pelien avulla voi esimerkiksi liikuntavammainen asiakas kokea liikkumisen iloa. Pelaaminen tarjoaa terapeuttisesti tärkeitä voimaannuttavia tekijöitä. Tietokoneella pelaaminen terapeuttisena toimintana on vain yksi osa tavoitteellista terapiaprosessia, ei koskaan ainoa toiminnan muoto. Terapeuttisena toimintana pelaaminen ei ole itsetarkoitus, vaan se mitä pelaaminen mahdollistaa. Tietokoneen terapeuttisessa käytössä täytyy huomioida ja tiedostaa sen rajoitteet. Tietokoneen käyttäminen ei ole aina helppoa ja se on huomattava taloudellinen ja ajallinen resurssi. Siihen voi liittyä myös tekijöitä jotka vähentävät tai jopa poistavat sen terapeuttista vaikutusta.
Resumo:
O presente trabalho representa a continuidade do trabalho da pesquisa iniciado no quadro do projecto Volkswagen, orientado para acompanhar as contribuições da economia informal na vida dos guineenses. A economia informal tem desempenhado nas últimas três décadas um papel importante na coesão social e atenuação dos conflitos que a pobreza faz surgir. Depois da liberalização da política económica e comercial, a maior parcela das famílias guineenses passou a praticar actividade comercial informal. O estudo que se desenvolveu foi baseado nos mercados periódicos chamados lumos que constituem hoje na Guiné-Bissau centros comerciais importantes, espalhados por todo território nacional, desde as cidades principais, aos centros urbanos secundários até ao meio rural. Esta dissertação tem como objectivo compreender o estatuto, a organização e funcionamento da economia informal na Guiné- Bissau e sua expansão através dos mercados chamados lumos que tiveram uma proliferação muito rápida no país e constituem neste momento os mercados com volume de negócios muito significativo. O trabalho focalizou-se também na forma como são mediados e solucionados os conflitos comerciais que ocorrem nos lumos, nomeadamente através do uso de instituições tradicionais da comunidade fula. Durante a recolha das informações, combinamos métodos qualitativos e quantitativos, recorrendo a diferentes técnicas e instrumentos de recolha de informação que nos permitiram ter uma perspectiva ampla e tão completa quanto possível de um universo caracterizado pela diversidade e pela complexidade de relações comerciais e sociais, à escala local, regional, nacional e transfronteiriça. Como conclusão geral que este trabalho permitiu evidenciar que os lumos desempenham duas funções importantes: a função económica, por possibilitarem o acesso a bens e serviços às populações e pelo grande volume de transacções comerciais que se realizam entre os consumidores e vendedores; a função social, porque neles se promove a mestiçagem, a partilha de um pequeno espaço por diferentes etnias ou nacionalidades, e incentiva práticas de solidariedade entre elas.
Resumo:
Explicitly correlated coupled-cluster calculations of intermolecular interaction energies for the S22 benchmark set of Jurecka, Sponer, Cerny, and Hobza (Chem. Phys. Phys. Chem. 2006, 8, 1985) are presented. Results obtained with the recently proposed CCSD(T)-F12a method and augmented double-zeta basis sets are found to be in very close agreement with basis set extrapolated conventional CCSD(T) results. Furthermore, we propose a dispersion-weighted MP2 (DW-MP2) approximation that combines the good accuracy of MP2 for complexes with predominately electrostatic bonding and SCS-MP2 for dispersion-dominated ones. The MP2-F12 and SCS-MP2-F12 correlation energies are weighted by a switching function that depends on the relative HF and correlation contributions to the interaction energy. For the S22 set, this yields a mean absolute deviation of 0.2 kcal/mol from the CCSD(T)-F12a results. The method, which allows obtaining accurate results at low cost, is also tested for a number of dimers that are not in the training set.
Resumo:
PURPOSE: To determine the lower limit of dose reduction with hybrid and fully iterative reconstruction algorithms in detection of endoleaks and in-stent thrombus of thoracic aorta with computed tomographic (CT) angiography by applying protocols with different tube energies and automated tube current modulation. MATERIALS AND METHODS: The calcification insert of an anthropomorphic cardiac phantom was replaced with an aortic aneurysm model containing a stent, simulated endoleaks, and an intraluminal thrombus. CT was performed at tube energies of 120, 100, and 80 kVp with incrementally increasing noise indexes (NIs) of 16, 25, 34, 43, 52, 61, and 70 and a 2.5-mm section thickness. NI directly controls radiation exposure; a higher NI allows for greater image noise and decreases radiation. Images were reconstructed with filtered back projection (FBP) and hybrid and fully iterative algorithms. Five radiologists independently analyzed lesion conspicuity to assess sensitivity and specificity. Mean attenuation (in Hounsfield units) and standard deviation were measured in the aorta to calculate signal-to-noise ratio (SNR). Attenuation and SNR of different protocols and algorithms were analyzed with analysis of variance or Welch test depending on data distribution. RESULTS: Both sensitivity and specificity were 100% for simulated lesions on images with 2.5-mm section thickness and an NI of 25 (3.45 mGy), 34 (1.83 mGy), or 43 (1.16 mGy) at 120 kVp; an NI of 34 (1.98 mGy), 43 (1.23 mGy), or 61 (0.61 mGy) at 100 kVp; and an NI of 43 (1.46 mGy) or 70 (0.54 mGy) at 80 kVp. SNR values showed similar results. With the fully iterative algorithm, mean attenuation of the aorta decreased significantly in reduced-dose protocols in comparison with control protocols at 100 kVp (311 HU at 16 NI vs 290 HU at 70 NI, P ≤ .0011) and 80 kVp (400 HU at 16 NI vs 369 HU at 70 NI, P ≤ .0007). CONCLUSION: Endoleaks and in-stent thrombus of thoracic aorta were detectable to 1.46 mGy (80 kVp) with FBP, 1.23 mGy (100 kVp) with the hybrid algorithm, and 0.54 mGy (80 kVp) with the fully iterative algorithm.
Resumo:
Substantial collective flow is observed in collisions between lead nuclei at Large Hadron Collider (LHC) as evidenced by the azimuthal correlations in the transverse momentum distributions of the produced particles. Our calculations indicate that the global v1-flow, which at RHIC peaked at negative rapidities (named third flow component or antiflow), now at LHC is going to turn toward forward rapidities (to the same side and direction as the projectile residue). Potentially this can provide a sensitive barometer to estimate the pressure and transport properties of the quark-gluon plasma. Our calculations also take into account the initial state center-of-mass rapidity fluctuations, and demonstrate that these are crucial for v1 simulations. In order to better study the transverse momentum flow dependence we suggest a new "symmetrized" v1S(pt) function, and we also propose a new method to disentangle global v1 flow from the contribution generated by the random fluctuations in the initial state. This will enhance the possibilities of studying the collective Global v1 flow both at the STAR Beam Energy Scan program and at LHC.
Resumo:
We study the eta'N interaction within a chiral unitary approach which includes piN , etaN and related pseudoscalar meson-baryon coupled channels. Since the SU(3) singlet does not contribute to the standard interaction and the eta' is mostly a singlet, the resulting scattering amplitude is very small and inconsistent with experimental estimations of the eta' N scattering length. The additional consideration of vector meson-baryon states into the coupled channel scheme, via normal and anomalous couplings of pseudoscalar to vector mesons, enhances substantially the eta' N amplitude. We also exploit the freedom of adding to the Lagrangian a new term, allowed by the symmetries of QCD, which couples baryons to the singlet meson of SU(3). Adjusting the unknown strength to the eta' N scattering length, we obtain predictions for the elastic eta'N -> etaN and inelastic eta' N -> etaN , piN , KLambda, KEpsilon cross sections at low eta' energies, and discuss their significance.
Resumo:
En este artículo presentamos una nueva definición de "útil" para uso interdisciplinar: el útil es aquel objeto, modificado o no y de un material cualquiera, que ayuda o permite a un ser vivo el conseguir una finalidad deseada. Cuatro puntos son desarrollados: 1) el útil no tiene que estar necesariamente modificado, 2) el útil no sólo responde a una materia prima determinada, 3) el empleo de útiles no es exclusivo del hombre y 4) la función del útil varía según la finalidad deseada. Los datos procedentes de la Etnología comparada, la Arqueología experimental, y, sobre todo, de la Etoprimatología nos ayudarán en nuestro objetivo de reconstruir el Pasado, tanto del "útil" como de la conducta instrumental de los primeros homínidos. El estudio de la cultura material del chimpancé será un factor decisivo.
Resumo:
Aim Structure of the Thesis In the first article, I focus on the context in which the Homo Economicus was constructed - i.e., the conception of economic actors as fully rational, informed, egocentric, and profit-maximizing. I argue that the Homo Economicus theory was developed in a specific societal context with specific (partly tacit) values and norms. These norms have implicitly influenced the behavior of economic actors and have framed the interpretation of the Homo Economicus. Different factors however have weakened this implicit influence of the broader societal values and norms on economic actors. The result is an unbridled interpretation and application of the values and norms of the Homo Economicus in the business environment, and perhaps also in the broader society. In the second article, I show that the morality of many economic actors relies on isomorphism, i.e., the attempt to fit into the group by adopting the moral norms surrounding them. In consequence, if the norms prevailing in a specific group or context (such as a specific region or a specific industry) change, it can be expected that actors with an 'isomorphism morality' will also adapt their ethical thinking and their behavior -for the 'better' or for the 'worse'. The article further describes the process through which corporations could emancipate from the ethical norms prevailing in the broader society, and therefore develop an institution with specific norms and values. These norms mainly rely on mainstream business theories praising the economic actor's self-interest and neglecting moral reasoning. Moreover, because of isomorphism morality, many economic actors have changed their perception of ethics, and have abandoned the values prevailing in the broader society in order to adopt those of the economic theory. Finally, isomorphism morality also implies that these economic actors will change their morality again if the institutional context changes. The third article highlights the role and responsibility of business scholars in promoting a systematic reflection and self-critique of the business system and develops alternative models to fill the moral void of the business institution and its inherent legitimacy crisis. Indeed, the current business institution relies on assumptions such as scientific neutrality and specialization, which seem at least partly challenged by two factors. First, self-fulfilling prophecy provides scholars with an important (even if sometimes undesired) normative influence over practical life. Second, the increasing complexity of today's (socio-political) world and interactions between the different elements constituting our society question the strong specialization of science. For instance, economic theories are not unrelated to psychology or sociology, and economic actors influence socio-political structures and processes, e.g., through lobbying (Dobbs, 2006; Rondinelli, 2002), or through marketing which changes not only the way we consume, but more generally tries to instill a specific lifestyle (Cova, 2004; M. K. Hogg & Michell, 1996; McCracken, 1988; Muniz & O'Guinn, 2001). In consequence, business scholars are key actors in shaping both tomorrow's economic world and its broader context. A greater awareness of this influence might be a first step toward an increased feeling of civic responsibility and accountability for the models and theories developed or taught in business schools.