<p>The presented thesis is devoted to the field of organic light emitting</p><p>diodes (OLEDs). Time-dependent Kohn-Sham density functional theory</p><p>(TDDFT) is applied</p><p>in order to eludicate optical properties such as fluorescence and</p><p>phosphorescence for some of the most important materials. The</p><p>accuracy of TDDFT is evaluated with respect to the calculated absorption</p><p>and emission spectra for commonly used light emitting polymers.</p><p>A continuation of this work is devoted to Polyfluorene as this polymer</p><p>has proven to be very promising. In this study the chain</p><p>length dependence of its singlet and triplet excited states is</p><p>analyzed as well as the excited state structures.</p><p>Understanding the phosphorescence mechanism of tris(2-phenylpyridine)Iridium is</p><p>of importance in order to interpret the high efficiency of OLEDs</p><p>containing these specimens. The mechanism is analyzed by calculating</p><p>the electric transition dipole moments by means of TDDFT using</p><p>quadratic response functions.</p><p>As not only the optical properties are essential for effective</p><p>devices, electron transfer properties are addressed. The electron</p><p>transfer capability of the sulfur and nitrogen analogues of Oxadiazole</p><p>is evaluated through their internal reorganization energy.</p>

<p>Density Functional Theory is used in order to shed light on the reaction mechanisms and the origins of stereoselectivity in enantioselective organocatalytic reactions. The reactions investigated are the dipeptide-catalyzed aldol reaction, the cinchona thiourea-catalyzed nitroaldol reaction and the prolinol derivative-catalyzed hydrophosphination reaction. We can justify the stereoselectivity in the reactions from the energies arising from different interactions in the transition states. The major contributions to the energy differences are found to be hydrogen bond-type attractions and steric repulsions. This knowledge will be useful in the design of improved catalysts as well as general understanding of the basis of selection in other reactions</p>

För att minska utanförskapet på arbetsmarknaden och öka sysselsättningen införde regeringen Reinfeld 2007 en arbetsmarknadsreform vid namn jobbskatteavdraget. Reformen innebar en skattereduktion på samtliga förvärvsinkomster vilket ökade de ekonomiska incitamenten att förvärvsarbeta. Ett flertal studier har genomförts för att utvärdera jobbskatteavdraget och denna uppsats syftar till att genom en metastudie analysera reformens effekt på sysselsättningen samt försöka utveckla en metod för utvärdering av reformen. Uppsatsen visar på att jobbskatteavdraget tidigare har utvärderats med sex olika metoder där den vanligaste metoden är prognostisering med hjälp av mikrosimulering. Det har även genomförts utvärderingar på utfallsdata med bland annat metoden difference-in-difference. Resultaten från de tidigare utvärderingarna tyder på att sysselsättningen som en konsekvens av jobbskatteavdraget ökat med omkring 2,9 procent vilket ligger i linje med nationalekonomisk teori samt internationella erfarenheter av liknande reformer. Den metod vi väljer att utveckla är en regressionsmodell som består av de två beroende variablerna arbetskraftsutbud och medelarbetstid och de fem förklaringsvariablerna, konjunktur, inkomst, inflation, demografi, och dummyvariabeln jobbskatteavdraget. Vi väljer att använda oss av två beroende variabler då jobbskatteavdraget enligt teorin bör påverka både den extensiva- och den intensiva marginalen.

Uppsatsen "En utredning av filosofins möjligheter" inleds med ett konstaterande av den bitande kritik som tidvis framförts mot filosofins olika dogmer och traditioner bland andra av Ludwig Wittgenstein, G. E. Moore och Richard Rorty. Det sägs vidare att all denna kritik hotar att förinta den positiva upptäckarlusten. En föresats görs därför att i funderingar och kritik se möjligheter för filosofin för att på så sätt bidraga till att föra denna framåt i något som förhoppningsvis blir ett konstruktivt inslag i debatten. I uppsatsens första del diskuteras vad filosofi är, filosofins universalitet, nyttan med filosofi och det konstateras att filosofin grundar sig på undran och spekulation och är universell i den meningen att den frågar istället för att påstå samt att nyttan med filosofi är uppenbar om man tittar på de insatser som gjorts av exempelvis Platon, Aristoteles, John Stuart Mill, Karl Marx, Thomas Hobbes och Jean-Jacques Rousseau. I den andra delen analyseras samhället och vetenskapen och dess kopplingar till filosofin och det konstateras bland annat att det är skillnad på principer och tillämpningar inom dessa olika områden samt att även om tillämpningarna inom olika områden ständigt är nya så är principerna desamma och att detta är något att ta fasta på beträffande filosofins möjligheter och trovärdighet. I den tredje mer avhandlande delen "En utredning av filosofins möjligheter" behandlas filosofins principer och nutiden jämförs i ett historiskt perspektiv och filosofin för framtiden diskuteras i meningen att filosofins principer är dess styrka samt att ett moment av klarsyn och precisering kan vara en möjlighet för filosofin att överbrygga sin svårförståelighet men dock innebär en risk för att själva filosofins styrka och särart därmed försvinner. Den slutsats som ges formuleras så att filosofins möjligheter inte så mycket ligger i skapandet av några för den nya principer utan i ett klarsynt användande av dess befintliga. / This paper aims at investing the possibilities for philosophical thinking through a speculative and critical examination of different ideas from various philosophers, such as Moore, Wittgenstein and Rorty. The aim is that philosophy can be a constructive part of the contemporary debate. In the first part, it is argued that philosophy is a speculative and universal business, and has had a great importance for society; examples of Plato, Aristotle, Augustine and different political philosophers as Marx, Mill, Rousseau and Hobbes are given. In the second part, society and science are investigated in relation to philosophy, and it is concluded that there is a fundamental difference between method and principles, in that methods always change while principles always are the same and this, it is said, is something fruitful for the possibilities and for the confidence in, philosophy. In the third part, the principles of philosophy are treated, and the contemporary world is treated in a historical perspective. The future of philosophy is discussed, and its strenght is said to lie in its own principles. It is argued that clearsightedness and precision can be the solution to philosophocal obscurity, but that there also thereby will be a risk of losing the genuine character and strenght of philosophy. The conclusion of the paper is that the possibilities of philosophy not are achieved by some new philosophical principles, but in a clearsighted use of the existing.

Jag har i denna studie valt att titta på hur textilslöjdslärare beskriver sitt arbete med materiallära. Syftet har varit att skapa kunskap om textilslöjdslärares undervisning i materiallära och vilka läromedel de använder sig av. Undersökningen utfördes genom litteraturstudier som knyter an till ämnet och fem kvalitativa intervjuer med utbildade textilslöjdslärare. Det som framkom var att materialläran läggs in i samband med det eleverna slöjdar med. Det framkom även att, om man gör undervisningen mer praktisk, så blir eleverna mer intresserade. Läromedel kring materiallära förekommer i begränsad omfattning och lärarna använder de läromedel som finns mest som ett stöd i sin undervisning. Det är lättare att undervisa de yngre eleverna i materiallära än de äldre, vilket kan bero på att de yngre är mer nyfikna av sig än de äldre. Materialens funktion är enligt lärarna den viktigaste kunskapen eleverna bör få med sig när de slutar skolan, så att de kan göra medvetna val i sina inköp av kläder och hemtextilier.

As the field of organocatalysis is growing, it is becoming more important to understand the specific modes of action of these new organic catalysts. Quantum chemistry, in particular density functional theory, has proven very powerful in exploring reaction mechanisms as well as selectivities in organocatalytic reactions, and is the tool used in this thesis. Different reaction mechanisms of several organocatalytic reactions have been examined, and we have been able to exclude various reaction pathways based on the calculated reaction barriers. The origins of stereoselection in a number of reactions have been rationalized. The computational method has generally reproduced the experimental stereoselectivities satisfactorily. The amino acid-catalyzed aldol reaction has previously been established to go through an enamine intermediate. In the first study of this thesis the understanding of this kind of reactions has been expanded to the dipeptide-catalyzed aldol reaction. The factors governing the enantioselection have been studied, showing how the chirality of the amino acids controls the conformation of the transition state, thereby determining the configuration of the product. In the cinchona thiourea-catalyzed Henry reaction two reaction modes regarding substrate binding to the two sites of the catalyst have been investigated, showing the optimal arrangement for this reaction. This enabled the rationalization of the observed stereoselectivity. The hydrophosphination of α,β-unsaturated aldehydes was studied. The bulky substituent of the chiral prolinol-derived catalyst was shown to effectively shield one face of the reactive iminium intermediate, thereby inducing the stereoselectivity. The transfer hydrogenation of imines using Hantzsch esters as hydride source and axially chiral phosphoric acid catalyst has also been explored. A reaction mode where both the Hantzsch ester and the protonated imine are hydrogen bonded to the phosphoric acid is demonstrated to be the preferred mode of action. The different arrangements leading to the two enantiomers of the product are evaluated for several cases, including the hydride transfer step in the reductive amination of α-branched aldehydes via dynamic kinetic resolution. Finally, the intramolecular aldol reaction of ketoaldehydes catalyzed by guanidinebased triazabicyclodecene (TBD) has been studied. Different mechanistic proposals have been assessed computationally, showing that the favoured reaction pathway is catalyzed by proton shuttling. The ability of a range of guanidines to catalyze this reaction has been investigated. The calculated reaction barriers reproduced the experimental reactivities quite well. / QC 20100719

<p> </p><p> </p><p>The purpose of this paper is to exam the philosophical development of Emanuel Swedenborg's doctrine of correspondence and to note some of the more important parallels between Swedenborg's doctrine and the three contemporary most debated theories concerning the mind-body problem. These three theories was pre-established harmony, its opponent physical influx and finally occasionalism. Especially occasionalism has close connections to Descartes' dualism, but neither pre-established harmony or physical influxus, which in some ways can be dated before Descartes, would have looked the same, if it were not for the Cartesian way of thinking. Also Swedenborg initially inherited major influences from Descartes and that is the first approach in this paper. From there on the paper follows the development of the doctrine of correspondence and the parallels according Swedenborg's more contemporary philosophical writers, until Swedenborg gets to a point where he underwent a profound spiritual crisis and turned his focus on an all together theological approach.</p><p> </p>

The spin of an electron often misleadingly interpreted as the classical rotationof a particle. The quantum spin distinguishes itself from classicalrotation by possessing quantized states and can be detected by its magneticmoment. The properties of spin and its collective behavior with otherfundamental properties are fascinating in basic sciences. In many aspectsit offers scope for designing new materials by manipulating the ensemblesof spin. In recent years attention towards high density storage devices hasdriven the attention to the fundamental level were quantum physics rules.To understand better design of molecule based storage materials, studies onspin degrees of freedom and their coupling properties can not be neglected. To account for many body effect of two or more electrons consistent withrelativity, an approximation like the Breit Hamiltonian(BH) is used in modernquantum chemical calculations, which is successful in explaining the splitin the spectra and corresponding properties associated with it. Often differenttactics are involved for a specific level of computations. For example themulti-configurational practice is different from the functional based calculations,and it depends on the size of the system to choose between resourcesand accuracy. As the coupling terms offers extra burden of calculating theintegrals it is literally challenging. One can readily employ approximations as it suits best for the applicationoriented device computations. The possible methods available in the literatureare presented in chapter 2. The theoretical implementations of couplingfor the multi-reference and density functional method are discussed in detail.The multi-reference method precedes the density functional methodin terms of accuracy and generalizations, however it is inefficient in dealingvery large systems involving many transition elements, which is vital formolecule based magnets as they often possess open shell manifolds. On theother hand existing density functional method exercise perturbations techniqueswhich is extremely specialized for a specific system - highly coupledspins. The importance of spin-spin coupling(SSC) in organic radical-Oxyallyl(OXA)was systematically studied with different basis sets and compared with asimilar isoelectronic radical(TMM). The method of spin-spin coupling implementationsare also emphasized. Similar coupling studies were carriedivout for the species HCP and NCN along with spin-orbit coupling(SOC).The splitting of the triplet states are in good agreement with experiments / QC 20110210

The presented thesis is devoted to the field of organic light emitting diodes (OLEDs). Time-dependent Kohn-Sham density functional theory (TDDFT) is applied in order to eludicate optical properties such as fluorescence and phosphorescence for some of the most important materials. The accuracy of TDDFT is evaluated with respect to the calculated absorption and emission spectra for commonly used light emitting polymers. A continuation of this work is devoted to Polyfluorene as this polymer has proven to be very promising. In this study the chain length dependence of its singlet and triplet excited states is analyzed as well as the excited state structures. Understanding the phosphorescence mechanism of tris(2-phenylpyridine)Iridium is of importance in order to interpret the high efficiency of OLEDs containing these specimens. The mechanism is analyzed by calculating the electric transition dipole moments by means of TDDFT using quadratic response functions. As not only the optical properties are essential for effective devices, electron transfer properties are addressed. The electron transfer capability of the sulfur and nitrogen analogues of Oxadiazole is evaluated through their internal reorganization energy. / <p>QC 20101109</p>

Syftet med mitt examensarbete är att få förståelse för John Deweys pedagogik och dess nutida betydelse i relation till en grupp lärares uppfattning om pedagogik, undervisning och demokrati. Syftet är också att utröna huruvida yrkeslärare och ämneslärare skiljer sig åt i dessa av-seenden. För att uppnå mitt syfte har jag valt att göra en kvalitativ studie. Jag har då använt mig av enkäter med ett antal frågeställningar och har även genomfört några intervjuer. Resultatet visar vissa skillnader mellan de olika lärarkategorierna vad gäller sättet att undervisa. Yrkeslärarna visade sig ha större tilltro till Dewey och hyllar liksom han tesen ”Learning by doing” Slutsatsen i min undersökning är att det finns skillnader mellan de olika lärarkategorierna, men det som verkligen fångade mitt intresse för Dewey är att hans pedagogik fortfarande är fullt gångbar i den svenska skolan.