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7786 Uppsatser om Density functional theory - Sida 1 av 520

Tidsberoende kvantkemiska beräkningar av optisk absorption hos polymerer och molekyler med litet bandgap

The vertical electronic excitation energies for the narrow-bandgap polymers LBPF, EP37 and EP62 have been calculated using Density functional theory (DFT). Also the vertical excitation energies for the acceptor unit of LBPF have been calculated using the Hartree-Fock (HF), DFT and Coupled Cluster (CC) methods. The calculations cover the visible and infrared wave length region and two strong transitions are obtained, one corresponding to the pi to pi* transition and one corresponding to the pi to Acceptor transition. The excitation energies obtained from DFT are below the corresponding experimental results and attempts have therefore been made to perform bench-marking calculations using a hierarchy of CC methods..

Elektronstrukturbaserad magnetiseringsdynamik

In this project a method used for performing accurate simulations on magnetization dynamics based on constrained field Density functional theory has been validated and used for performing computations on a few magnetic materials. The method has been shown to simulate systems consisting of iron well, but there are still problems with simulations of alloys containing both magnetic and non-magnetic materials..

Vad har 18-19 åringar för attityder mot Functional Food? : - En kvalitativ studie

Problem: What attitudes do young adults have towards Functional food?Is there any relation between these attitudes and young adults behaviour towards Functional Food?Purpose: The purpose of our thesis is to understand young adults attitudes towards Functional Food and also examine the relation between these attitudes and their behaviour towards Functional Food. Method: The authors of this thesis have used a qualitative method for data collection, focus group interviews.  There were two focus groups interviews performed on high-school students at Alléskolan in Hallsberg. The interview questions and the analysis of the primary data have been based on the frame of reference. Conclusion: Our investigation shows similar results as previous studies about consumers attitudes towards Functional Food. Our respondents had mixed attitudes towards Functional Food.

LEAN produktuveckling : Ett arbete om kunskapsbaserad produktutveckling med fokus på tvärfunktionellt samarbete & lärande

Lean Product Development is a knowledge-based business concept in order to maintain high quality, meetcustomer requirements and to make product development more efficient. An important part of the processis to add a lot of resources at an early stage and execute the development as an iterative process betweendepartments exploring many alternatives thoroughly. The work focuses on how Lean ProductDevelopment is carried out and explores how to manage interaction between different departments andexpertise with regard to cross-functional collaboration and knowledge sharing i.e. learning.The information for the studies was gathered at a major Swedish company from two projects. The projectswere carried out as cross-functional and possible key factors for cross-functional collaboration wasidentified.The results have been correlated with theories of Lean, Product development, Lean product developmentand Learning.

Akustisk mätning av U-värde

This pre-study investigates the possibility of U-value measurements through an acoustic method. A hypothesis about an acoustic model built on acoustic theories combined with U-value theories is presented to answer the questions: ? Can U-value theory be combined with acoustic theories? ? Can the coefficient of heat be affirmed trough an acoustic measurement? The idea for this dissertation begun with a logical idea in mathematical similarity, between the coefficient of heat transmission units and sound intensity units. The U-value theory is based on assumptions such as initial resistance for inner walls and initial resistance for outer walls. The resistance in the material is interpreted through sound intensity theory. The argument is built upon mass law theory, which means if the frequency or thickness of the material layer doubles it implies an increase of sound reduction by 6 dB.

Motivation till ideellt arbete inom olika idrottsföreningar

För att undersöka vad som motiverar människor att arbeta ideellt inom idrottsföreningar med Self-Determination theory och Functional approach som grund, samt om det råder någon skillnad beroende på ålder och antal timmar människor lägger på sitt ideella engagemang, skickades en enkät ut till ideellt engagerade i fyra olika idrottsföreningar. Av de 125 deltagarnas resultat visade det sig att de yngre deltagarna i högre grad motiverades av karriärfunktion i Functional approach. Kontrollerad motivation från Self-Determination theory var vanligare bland dem som spenderade över tre timmar på det ideella arbetet. Gemensamt för deltagarna var att de i störst grad drevs av autonom motivation från Self-Determination theory, det vill säga den inre viljan att göra något. Detta tyder på att det var självutvecklande, egenvinnande motiv som motiverade denna studies deltagare till ideellt arbete..

Inkludering på olika villkor : En dokumentstudie av aktuella politiska diskurser om integration

The purpose of this essay is to examine the Swedish governments discourse on integration of immigrants and thereby examine what social reality it constructs. The aim is to examine how integration and immigrants are constructed within the discourse. The method and theory being used in this essay is discourse theory. As a methodological instrument we use the policy on functional impairment as a comparison. The material being analyzed in this essay is political documents on the strategy on integration policy and the strategy on the policy of functional impairment.

LSS-handläggares uppfattning om LSS-lagstiftning och dess tillämpningSocial workers apprehension about the Support and Service for persons with Certain Functional Impairments (LSS) and the application

The aim with this study is to see how social workers apprehend the law, support and service for persons with certain functional impairments (LSS) and the application. We interviewed six social workers in six different municipalities to get a distribution between small and big municipalities. In the study we have used a qualitative method with half structured interview questions, since we wanted to get a comprehension for the social workers apprehensions. We have used a communication theory and a role theory in the study. The result showed that the social workers consider that the LSS is important, but that there are a few difficulties in the application.

Inverkan av nederbörd, temperatur och frost på årsringens egenskaper hos boreal tall (Pinus sylvestris L.) :

The wide distribution range of our boreal pine (Pinus sylvestris L.) provides a great variation in growing conditions and climate/weather factors that influence the wood development of the trees. A great number of extensive studies have been conducted over the years in order to clarify growth trends of this and other species over more or less wide-ranging areas. In this thesis effects of weather factors were instead compared between different forest stands from the about same geographical location. The effects of precipitation, temperature and frost on the year ring characteristics of pine were studied in the research forest of Svartberget Vindeln, in northern Sweden. The stands differed in site index and silvicultural treatment; fertile ? high stem density, fertile ? low stem density, poor ? high stem density and poor ? low stem density.

Social hållbarhet och förtätning : en kritisk studie i förtätningens sociala paradoxer

Densification is one of the urban visions for sustainable development - a vision that has become a part of the solution to the unsustainable sake dilemma. With the dense city land will be saved, energy consumption reduced and social cohesion improved. The dense city is considered to be ecologically, economically and socially sustainable. Applying an urban design concept has thus proven to be problematic. Density has been found to be a complex concept which is far more complicated than measuring how much built surface that needs to be covered. It is also not disputed what different degrees of densification mean and whether densification in itself is sustainable.

Jämförelse av fyra rundbalspressars packningsförmåga som funktion av grödans torrsubstanshalt :

To succeed, and make money at your animal production you need to feed your animals with high quality fodder. Other condition to succeed is that you keep your production costs at a minimum. To be able to produce baled silage at a low cost it?s very important that the bales have a high density. Density is measured in kg dry matter (DM) per cubic meter. The purpose with this report was to learn more about making silage in round bales and to how much the bale density varies between different brands of round balers.

Striving for innovation; working in CFT - a case study of Audi

The purpose of this thesis is to study and determine how working in cross functional teams can generate value in an effort to facilitate innovation. An inductive scientific perspective is chosen as the research approach. A single case is investigated with the theoretical framework based on Resource Based View, Intellectual Capital, Innovation theory and theories concerning Cross Functional Teams. The empirical material has been collected through primary data; surveys, interviews and secondary data; literature, websites and further complementary data. The practice of using Cross Functional Teams will enhance organizational learning, knowledge transfer, increase communication and innovation, which in turn will increase the speed and performance of the new product development process.

Logopeders bedömning av funktionell kommunikation hos personer med afasi : En enkätstudie riktad till logopeder i Sverige

There are several different methods of assessment of functional communication in individuals with aphasia. However, these are not very established in Sweden. A number of assessment methods are not translated and adapted to Swedish. The views about what functional communication means are scattered. The purpose of this study was to, with the help of a questionnaire survey, identify how Swedish speech and language therapists assess functional communication, to what extent and what they want that an assessment method should contain to be clinically useful.The study involved 54 clinically active speech and language therapists in the area of aphasia.

Functional Foods ? från nisch till massmarknad?

Vi kom fram till att de svenska konsumenterna är mycket intresserade av functional foods och har en positiv inställning till produktgruppen men att bakgrunden till deras intresse skiljer sig åt. De livstilsorienterade konsumentgrupperna är primärt intresserade av produkternas emotionella egenskaper som smak, evig ungdom, bättre image, smalare midja och är mindre intresserade av produkternas kemiska sammansättning. Det produktorienterade konsumentgrupperna är däremot mer intresserade av varför produkterna är nyttiga och ser inte functional foods som ett redskap för att förbättra sin personliga image utan man är angelägen om kroppens fysiologiska välbefinnande. Det finns således avgränsade segment på den svenska marknaden som både är intresserade av functional foods men av olika anledningar. Sammantaget skapar detta en möjlighet för producenterna att differentiera sina positionerin mot olika kundgrupper.

Röjningsförbandets betydelse för avverkningsekonomin i södra Sverige :

The aim of this work is to demonstrate how the net present value (NPV) at the time of the first thinning depends on the spacing after pre-commercial thinning, and show how net value from first thinning in same stand is influenced. This study is performed with models based on non-distant dependent growth models for single trees. Two different growth models have been used, one for cleaning (pre-commercial thinning) and one for thinning. The first one yields stem density distributed over diameter classes. In the second one, (the thinning model), it is possible to choose when thinning should be done, the thinning method, thinning grade and numbers of thinning.

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