Vibronic structure in triatomic molecules : The hydrocarbon flame bands of the formyl radical (HCO). A theoretical study

A theoretical study of the vibrational structure of the math 2A′ ground and math 2A′ excited states of the formyl radical, HCO, and its deuterated form, DCO, has been performed. The potential energy surfaces have been computed by means of a multiconfigurational perturbative method, CASPT2. The computed geometries and the harmonic and anharmonic frequencies are successfully compared to the available experimental information. The vibrational intensities of the transition math 2A′↔math 2A′ have been computed both for absorption and emission. The results lead to accurate determinations of several structural parameters and some reassignments of the vibrational transitions of the so-called hydrocarbon flame bands of the formyl [email protected]

Неинвазивный метод выявления патогенетически значимых антигенов Helicobacter pylori в биологических жидкостях организма

HELICOBACTER PYLORIБИОЛОГИЧЕСКИЕ МАРКЕРЫЖИДКОСТИ ТЕЛААНТИГЕНЫИММУНОЛОГИЧЕСКИЕ ФАКТОР

A theoretical study of the 1B2u and 1B1u vibronic bands in benzene

The two lowest bands, 1B2u and 1B1u, of the electronic spectrum of the benzene molecule have been studied theoretically using a new method to compute vibronic excitation energies and intensities. The complete active space (CAS) self-contained field (SCF) method (with six active π-orbitals) was used to compute harmonic force field for the ground state and the 1B2u and 1B1u electronic states. A linear approximation has been used for the transition dipole as a function of the nuclear displacement coordinates. Derivatives of the transition dipole were computed using a variant of the CASSCF state interaction method. Multiconfigurational second-order perturbation theory (CASPT2) was used to obtain absolute excitation energies (12 active π-orbitals). The results show that the approach works well. Vibrational progressions are well described in both bands and intensities, and energies are in agreement with experiment, in particular when CASPT2 derived geometries are used. One interesting result is that computed vertical energies fall about 0.1 eV on the high energy side of the band [email protected]

Water quality management

جزوه آموزشی دکتر کاریاب- مدیریت کیفیت آ

Calculated Potential Energy Surfaces and Vibrational Analysis

The focus of this thesis is on the calculation of potential energy surfaces and on the study of vibrational properties. For example: - We have developed a new method for calculation of Franck-Condon factors. - We have calculated full energy surfaces of the ground (X2A’) the excited (B2A’) states of the formyl radical. These surfaces have been used to study the hydrocarbon flame bands of the B2A’ <- X2A’ transition. - We have used the double harmonic approximation to vibrationally resolve the transitions to the lowest valence states in the benzene spectrum. - We have developed an imaginary level shift method used to eliminate singularities in the multiconfigurational perturbation method, CASPT2. The results of these calculations have been compared to and discussed in relation to other theoretical calculations and/or to experimental results

Laughing Knives : Satire in the English Classroom

The aim of this study is to promote the use of satirical content in the English classroom.This study provides an analysis of three interviews with English teachers in the upper secondary school. The analysis compares earlier research with the findings from the interviews. Interview answers show through real experiences that satirical content may help students become more engaged, not only in learning English but in other social and cultural issues as well. Teachers will have to fight their insecurities about satire in order to use satirical content to its fullest potential. However, it is concluded that satire has a great potential in the English language classroom because of the number of advantages it can provide

Extinction Rebellion as a social movement : A qualitative study of why people join Extinction Rebellion

“There is an overconsumption in the Swedish society that affects all living and contributes with consequences for all. How does this affect us humans? How does it affect society and what consequences become visible? Today the main focus is on the environment and climate changes where the government and the media are responsible for what is being published. The focus is the entire population but is the government and the media doing a good job to reach out to everyone of its inhabitants? To get a first point of view of the situation we have chosen a subculture to investigate - a social movement, Extinction Rebellion. They are making headlines all over the world with their radical actions which both informs and scares the population. Our study will have its starting point in the theories of Zygmunt Bauman - The consumer society, Bert Klandermans &amp; Jacqueline van Stekelenburg - Social movements and Richard Jenkins - Social identity. By collecting empirical research by qualitative interviews, we would like to find an understanding that can explain why some people choose to deviate from the norm to act against society for the environment. The result indicate that people would like to change the society and that there is a genuine fear that is connected to the consumer society and its consequences. These consequences are the motivation for people to join a social movement, such as Extinction Rebellion.”Det finns en överkonsumtion inom det svenska samhället som påverkar allt levande och bidrar med konsekvenser för alla. Hur påverkas människan? Hur påverkas samhället och vilka konsekvenser blir synliga? Det är idag stort fokus på miljön och klimatförändringar där staten och media väljer vad som publiceras. Deras inriktning blir mot hela befolkningen, men lyckas staten och media nå ut till alla invånare? För att få en inblick i hur situationen ser ut har vi valt att granska en subkultur - en social rörelse, Extinction Rebellion, som försöker skapa rubriker runt om i världen genom radikala aktioner som både informerar och skrämmer upp befolkningen. Studien har sin utgångspunkt i Zygmunt Baumans - konsumtionssamhället, Bert Klandermans &amp; Jacqueline van Stekelenburg - sociala rörelser samt Richard Jenkins - social identitet. Metoden som används är kvalitativa intervjuer som söker en förståelse för att förklarar varför vissa människor aktivt väljer att avvika från normer för att ta ställning mot samhället för miljöns skull. Resultatet pekar på att individer har en vilja att förändra samhället samt en genuin rädsla för det senmoderna konsumtionssamhällets konsekvenser. Dessa konsekvenser blir en faktor som motiverar människor till att gå med i en social rörelse som Extinction Rebellion.

Road Transportation : Environmental sustainability vs. lead time and costs

The recession of the early 1990’s marked the starting point for a transformation of the Swedish transportation industry. Cost oriented production techniques by the industry’s customer increased demand on swiftness, reliability and flexibility in transportation services. This development has continued ever since which in turn has continuously increased the rates of harmful discharges of emissions. The research is performed on the Swedish plastic industry and examines the relationship between environmental sustainability, lead time and cost when selecting road carrier for transportations. The main purpose is to examine to what extent environmental concerns are taken into account when deciding over distribution and furthermore, whether there exist potential and ambitions for improvements. Out of theories concerning transportation modal choice, four points of interest constitutes the basis for the empirical gathering; prioritization of selection determinants, environmental requirements in procurement of transportation services, use of rail freight and acceptable cost levels for implementing environmental sustainability. The study shows that the market of the Swedish plastic industry is driven by price competition and constant pressure from international trade. Naturally, cost is considered to be the foremost selection determinant in terms of transportation modal choice, followed by reliability and lead time. Furthermore, the study shows that environment is of low priority in respect to the other selection determinants. Although the current market condition diminishes the possibilities for changes, there exists a general ambition to become more environmental within the distribution activities. A majority of the respondent firms could potentially accept levels of increased transportation costs which balance with the costs of guaranteeing environmental sustainability in road transportations. In reference to increased environmental ambitions, three conclusions can be drawn. The relationship between environmental sustainability, lead time and cost allow for environmental improvements if lead time can be extended to the maximum conceivable limit of the market. Furthermore, the price competition of the market makes own initiatives impossible in terms of raising price for transportations; environmental sustainability in road transportation must therefore be preceded by demand for such. Finally, it can be concluded that environmental improvements cannot be achieved single handedly; costs must be evenly distributed among the suppliers, customers and haulers

Extinction Rebellion as a social movement : A qualitative study of why people join Extinction Rebellion

“There is an overconsumption in the Swedish society that affects all living and contributes with consequences for all. How does this affect us humans? How does it affect society and what consequences become visible? Today the main focus is on the environment and climate changes where the government and the media are responsible for what is being published. The focus is the entire population but is the government and the media doing a good job to reach out to everyone of its inhabitants? To get a first point of view of the situation we have chosen a subculture to investigate - a social movement, Extinction Rebellion. They are making headlines all over the world with their radical actions which both informs and scares the population. Our study will have its starting point in the theories of Zygmunt Bauman - The consumer society, Bert Klandermans &amp; Jacqueline van Stekelenburg - Social movements and Richard Jenkins - Social identity. By collecting empirical research by qualitative interviews, we would like to find an understanding that can explain why some people choose to deviate from the norm to act against society for the environment. The result indicate that people would like to change the society and that there is a genuine fear that is connected to the consumer society and its consequences. These consequences are the motivation for people to join a social movement, such as Extinction Rebellion.”Det finns en överkonsumtion inom det svenska samhället som påverkar allt levande och bidrar med konsekvenser för alla. Hur påverkas människan? Hur påverkas samhället och vilka konsekvenser blir synliga? Det är idag stort fokus på miljön och klimatförändringar där staten och media väljer vad som publiceras. Deras inriktning blir mot hela befolkningen, men lyckas staten och media nå ut till alla invånare? För att få en inblick i hur situationen ser ut har vi valt att granska en subkultur - en social rörelse, Extinction Rebellion, som försöker skapa rubriker runt om i världen genom radikala aktioner som både informerar och skrämmer upp befolkningen. Studien har sin utgångspunkt i Zygmunt Baumans - konsumtionssamhället, Bert Klandermans &amp; Jacqueline van Stekelenburg - sociala rörelser samt Richard Jenkins - social identitet. Metoden som används är kvalitativa intervjuer som söker en förståelse för att förklarar varför vissa människor aktivt väljer att avvika från normer för att ta ställning mot samhället för miljöns skull. Resultatet pekar på att individer har en vilja att förändra samhället samt en genuin rädsla för det senmoderna konsumtionssamhällets konsekvenser. Dessa konsekvenser blir en faktor som motiverar människor till att gå med i en social rörelse som Extinction Rebellion.

Chief Information Officer : A business strategy resource?

This thesis aims at describing the CIO role from the perspective of two interviews and the literature on the subject. Our research questions mainly focus on the actual work of a CIO and are answered by providing a framework on how to view the CIO and the influence of the CIO. Influence meaning both on business and IT strategy. We have answered what the CIO role implies and how it is used in different organizations. To do this we have scanned current literature and also conducted two interviews with CIO’s from completely different organizations and resources. A framework for understanding how the IT strategy and business strategy is linked with the CIO as a resource has been created and our interview findings are presented in this framework. We have also found that the CIO with little involvement in overall business strategy decisions has less influence on the IT strategy. This is ex-plained by the nature of the organization and the view of IT. A CIO’s primary function could be to strategically align IT with business or to make sure that the IT systems runs flawless. These can be viewed as counterpoints but since the role today is changing from being operative to working more with strategic questions it is not a strange finding. The influence a CIO has in business strategy questions ranges from none to a lot, based on how the CIO role is defined by the organization. This is also well in line with the view of IT. When viewing IT as something that has the possibility to gain competitive advantage, IT gain more credibility, hence the CIO gains more influence on business strategy decisions. We also found that the CIO not only has the overall responsibility of IT in the organization, but also that s/he is supposed to work with questions of concern to the business. This forces the CIO to have an understanding of the end-customer, which in itself creates a better understanding for the business strategy. The CIO should work with questions that not only meet the current demand of the organization they support, but also future needs and potential opportunities where IT can be of specific interest