This Ph.D. dissertation is focused on the investigation the structure of nitrile anion containing molecules and how the structure and reactivity of those molecules are affected by solvation and counter ion. A systematic approach was employed in this investigation, beginning with an evaluation of the accuracy of three commonly used model chemistries (Hartree-Fock (HF), Second-order Møller-Plesset perturbation theory (MP2), the Becke three-parameter exchange functional coupled with the nonlocal correlation functional of Lee, Yang, and Parr (B3LYP), all paired with the 6-31+G(d) basis set). A series of complexes of various cations with a number of explicit molecules of tetrahydrofuran (THF) and dimethyl ether (DME) were studied with these model chemistries and the results were compared, where possible, with experimental results. From this work, it was determined that the B3LYP models gave the most accurate results for the complexes in question. This work was then extended to acetonitrile anion containing complexes of solvent and cation. Based on the results of that extension, it was determined that cation size and charge density on the cation were critical factors in determining the structure of the acetonitrile anion molecule and in determining if the anion was metalated at the nitrogen or alpha-carbon position, with larger cations favoring carbon metalation and more significant deformation of the alpha-carbon from the expected sp2 hybridization. The final aspect of this dissertation was the determination of reaction coordinate energy profiles for a pair of substitution reactions involving nitrile anion containing cycloaliphatic molecules. The results of this study showed that, due to steric and kinetic factors, the axial products and transitions states associated with these reactions were favored, and that the degree of preference was kinetically controlled. / Bayer School of Natural and Environmental Sciences / Chemistry and Biochemistry / PhD / Dissertation

High-intensity light — for instance that from a laser — can be destructive, not only to the human eye, but also to equipment such as imaging sensors and optical communication devices. Therefore, effective protection against such light is desirable. A protection device should ideally have high transmission to non-damaging light, and should also be fast-acting in order to effectively stop high-intensity light. In working towards a protection device, there is a need to conduct fundamental research in order to understand the processes involved. One of the photophysical processes of special interest in the field of optical power limiting (OPL) is reverse saturable absorption, where a compound in an excited state absorbs light more strongly than it does in its ground state. In this work, several novel organoplatinum compounds for OPL, rationally designed to have a strong reverse saturable absorption, have been synthesized. The compounds have been analyzed using linear and nonlinear absorption spectroscopy, luminescence spectroscopy, and quantum chemistry calculations to gain further knowledge regarding their photophysical properties. In addition to this fundamental research, the absorption capabilities of some of these compounds indicate that they can be used for OPL applications. Consequently, compounds from these studies have been incorporated into a sol–gel glass that could be used in optical systems. / <p>Finansiellt stöd från Kempestiftelsen.</p>

Bakgrund: Det har visat sig att det i många fall kan vara svårt att jämföra kalkylinformation mellan likartade enheter trots att dessa använder sig av samma kalkyleringsmetoder, särskilt om enheterna i fråga är geografiskt placerade i regioner med olika kalkyleringstraditioner. Det är därför av intresse att undersöka hur kalkylinformationen kan skilja sig åt i dessa fall. Syfte: Syftet är att analysera försäljningsomkostnader med hänseende på deras urval och värdering i kalkyler. Genomförande: Vi har genomfört en casestudie med intervjuer med tre enhetschefer i den svenska divisionen samt med tre engelska chefer för motsvarande enheter i den brittiska divisionen inom en och samma globala koncern. Resultat: Vi finner i vår studie att kalkyltraditioner spelar en stor roll för vad kalkylinformationen visar, men att det även förekommer stora skillnader mellan enheter som har samma kalkyltradition. Vi bedömer att den främsta orsaken till att dessa skillnader uppkommer är att enheterna tillämpar olika urval. / Background: It has many times proved to be difficult to compare calculation information between different units, although these units use the same calculation method. This is especially so if the units in question geographically are belonging to regions with different calculation traditions. Therefore it is of great interest to examine how calculation information can diverse. Purpose: The purpose is to analyse sales costs with focus on selection and valuation in calculations. Research Method: We have carried out a case study combined with interviews with three middle-managers in the Swedish division and with three middle-managers for the corresponding units in the UK division of the same global company. Results: We find that the calculation traditions to a large extent influences what the calculation information shows, but we also find big differences between units which historically use the same calculation traditions. According to our study the principal cause of the differences comes from the fact that the units use different selections.

The dissertation analyses the current state of costs calculations and particular function of these calculations in estimating the product prices in the chosen company, which is Spojené kartáčovny, a. s. in Pelhřimov. The conclusion presents several recommendations which if applied would specify the cost calculations for manufacturing.

The master’s thesis is focused to analysis of current conditions of calculations and calculation system of company. The analysis are basis for finding and resolving of problematic sections. The introduction of theoretical basis of cost accounting and calculations is included to first part of the thesis. The second part analyzes of current situation of company and describes relevant processes. The wording of proposals and recommendations for problematic sections, which have been detected by analysis, are included to final part.

Diploma thesis is focused on optimization cost model for innovative product in production plant in Brno, in business AŽD Praha s. r. o. Based on theoretical knowledge and analysis of the current costing model of the original product version and the innovated version of the product, the design part will be optimized the cost calculation model for the innovative product and it will be proposed controlling concept of cost calculation. Described proposal for optimizing the cost calculation model leads to an overall improvement of the cost management system in AŽD Praha s. r. o.

The aim of this diploma thesis is a design of a condensing steam turbine based on technical specification of inlet steam - maximal mass flow 120 t/h, temperature 440 °C; on temperature in deaerator 125 °C; on mass flow 0 – 60 t/h and pressure 3,0 bar(a) of regulated steam extraction and on ambient temperature in the vicinity 25 °C. The result contains steam turbine with reaction blading, work output 28,76 MWe and efficiency 82 %.

This master´s thesis deals with gantry – type milling machines. At first gantry – type milling machines are divided according to their structure. Then basic parts of an upper gantry – type milling machine are described. This machine is designed in a calculation part of this thesis. A calculation of a cutting force, a calculation of a needed moment of a drive of a spindle and a feed screw for axis x, y, z, a design of a belt drive between the spindle and the drive are done in the calculation part. Then the model of this upper gantry – type milling machines is made. Drawings are created for some parts of this machine.

When it comes to calculating physical activity, nowadays a wide variety of tools is at our disposal.The phones used daily incorporate functions that calculate, for example, the number of steps taken throughout the day. Using the tools to set personal goals or to review which physical properties deviate. This work entails collecting data via a mobile camera using an application with the ability to measure luminance for the purpose of calculating heart rate. This thesis is done on behalf of Mobistudy, who wishes to calculate the heart rate during a common exercise test, the Queen’s College Step test. This is intended for use with a telephone held in the hand with the camera's index finger throughout the period, and the light intensity signal is affected by movement disturbances. The purpose of this work is to detect the heart rate in a way that is robust to these disturbances. The results were presented and, in the thesis, it was concluded that the majority of disturbances could be removed, but with the exception of a few tests.

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第18278号 / 工博第3870号 / 新制||工||1594(附属図書館) / 31136 / 京都大学大学院工学研究科材料工学専攻 / (主査)教授 田中 功, 教授 邑瀬 邦明, 教授 酒井 明 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DGAM