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Modern computational techniques for simulations of molecular spectra
Ivani, Ivan ; Baumruk, Vladimír (advisor) ; Kapitán, Josef (referee)
Accurate computations of vibrational energies and vibrational spectra of molecules require an inclusion of the anharmonic forces. In standard computational protocols, a large vibrational Hamiltonian matrix is diagonalized, and spectral intensities are calculated for individual transitions separately. In this work we propose an alternate direct generation of the spectral curves based on a temporal propagation of a trial vibrational wavefunction followed by a Fourier transformation. The lack of the lengthy and computer-memory demanding diagonalization makes the method suitable for larger molecules. It is especially convenient for sparse Hamiltonians that are commonly obtained within the harmonic oscillator basis set, and the algorithm is amendable to parallelization. On a model water dimer basic convergence properties are discussed. The method is then applied to vibrational Raman intensities of the fenchone compound, were it provides spectral shapes comparable with those obtained by the classical approaches.
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Epidemiological characteristic of viral hepatitis A in the Czech Republic
Polák, Jan ; Kynčl, Jan (advisor)
The aim of theses is to describe epidemiological characteristics of viral hepatitis A (VHA) in Czech Republic. The identification of specifics related to an increase of VHA and the importance of prevention and spread of this disease is examined The focal point of increased incidence of VHA are specific high risks groups mainly drug users. The general decrease in VHA infections among populations at large results in an increasing number of people having no antibody against VHA. The identified groups then become significant sources of pools of new infections affecting the rest of healthy population having no immunity against VHA virus. The previous epidemics of VHA during the second half of 20th century show the importance of state legislations or local rules governing public hygiene. These include regular controls of food producers, retailers and sources of drinking water. These measures by state and local health inspectors are essential to prevent large scale outbreaks of VHA epidemics. The study puts heightened emphases on health precautions while traveling in countries with a high prevalence of VHA. The preventative measures against VHA virus are important because the specific treatment to cure an illness does not exist and susceptibility to become infected with a virus is high. The personal hygiene such...
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The human relationship and the Christian faith in helping profession
Hirmanová, Vlasta ; Opatrný, Aleš (advisor) ; Lachmanová, Kateřina (referee)
Human relation and belief in helping proffesion Even today, probably more than in previous times, "being human" primarily means to be responsible not only to himself but also to the outside world, to other people and especially the order of being that goes beyond us. Responsibility is together with understanding, rational self-sacrifice, empathy, prosocial behavior, etc.. also one of the basic presumptions for successful performance of helping profession. Helping workers are largely motivated for exercise of their profession by desire to help a fellow. Only later, discovering that the reality is somewhat more prosaic and, moreover, that their work is very demanding on the performance, emotional commitment and the energy expended, they cannot largely expect any return delivered. In addition to this all they meet series of prejudices, not only by laymen, but also by professionals. This work presents human relationships and Christian faith in a helping profession and their implementation in one of the largest shelters in Bohemia, in the Home of St. Francis in Pilsen. Key word: helping profession, sanctuary house, helping start, belief, human relation
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The Holocaust through the eyes of the guilty participants
Dusíková, Arna ; Holý, Jiří (advisor) ; Špirit, Michael (referee)
The aim of this diploma thesis is not to increase the already large amount of factual literature on holocaust, but to think about a phenomenon of guilt with the help of such literary texts that enable to look at the side of culprits. Beside the guilt itself, the stress is being put on narrative procedures used in the pieces with the so called unreliable narrator. Whatever the literary process may be, it cannot avoid historical terms and facts, that are, though, mentioned only to make the text easier to comprehend. The knowledge of holocaust, on an elemenatary basis at least, is expected anyway.
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Epiphytic species of Lecanora subfusca group in the Czech Republic
Malíček, Jiří ; Vondrák, Jan (referee) ; Palice, Zdeněk (advisor)
The main aim of this bachelor work is to summarize knowledges on species of the Lecanora subfusca group growing in the Czech Republic, eventually taxa their occurence may be expected in our area. Only epiphytic and/or epixylic species are included in this study because of a large diversity of the group. Ten taxa have been published from the country. This group is poorly explored in Central Europe because of difficult determination of single species. A comprehensive treatment is lacking in this area. For most taxa of this group only limited information on ecology, distribution, chemistry and taxonomic concepts exists. The present work is reviewing up-to-date knowledge of this group. Historical sources were based mainly on morphological and anatomical data. These were evaluated and excerpted. The bachelor work should serve as a basement for the following diploma thesis.
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Drought monitor for the Czech Republic-www.intersucho.cz
Trnka, Miroslav ; Hlavinka, Petr ; Semerádová, Daniela ; Balek, Jan ; Možný, M. ; Štěpánek, Petr ; Zahradníček, Pavel ; Hayes, M. ; Eitzinger, Josef ; Žalud, Zdeněk
Because drought and its impacts are among the worst hydrometeorological extremes (including also Central European conditions), the aim of this paper is to describe the core and use of the Integrated drought monitoring system for the Czech Republic. Land-use, information about soil, vegetation characteristics and meteorological data are used as inputs to validated water balance SoilClim model, which is applied for estimates of actual and reference evapotranspiration and water saturation of the soil profile in % or soil moisture content in mm. Moreover the prognosis of expected soil moisture (based on probabilistic analysis) is calculated for next 1, 2, 4 and 8 weeks. Main results are weekly updated in form of drought occurrence maps, which are published in spatial resolution 500 m for whole territory of the Czech Republic and for all its 76 districts separately. Final maps with detail comments are available at drought topic dedicated web page (ANONYM 3 2014).
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Mpembe effect - reality or fiction? (Hysteresis by water freezing).
Böhm, Pavel ; Obdržálek, Jan (advisor) ; Rotter, Miloš (referee)
The aim of this thesis was to review theoretically and experimentally so-called Mpemba eect, where the initially hot water freezes sooner than the initially cold one. Based upon already published theoretical and experimental works, a list of circumstances possibly supporting this phenomenon was created and discussed. Some situations were veried experimentally. These experiments were carried out partly in laboratory using small amounts of distilled water (less than 1 ml), partly in "kitchen conditions" using the tap water (about 200 ml) and a commercial home refrigerator. The time of freezing dened by freezing of the entire body of water was measured using the inection points of cooling curves. Unlikely to the Mpemba eect (and likely to the usual expectations), usually the sample of cold water freezes sooner than the hot one. The Mpemba eect occured rarely, mostly when the cooler was covered by the layer of the snow and the hot vessel could melt through it to reach better thermal contact than the cold vessel. Other observed cases were mostly inconclusive.
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The impact of the euro adoption on securities markets in the Czech Republic
Wartlik, Tomáš ; Brada, Jaroslav (advisor)
The acceptation of a single currency has an influencial impact on the economy of the country, especially on its financial market. This work examines all parts of finacial market of the Eurozone, assesses their state of development and compares it with the situation in the Czech Republic. The work also tries to estimate the impacts, that the acceptance of a single currency will bring to Czech financial market, and where it is possible, it uses the experience of Slovenia, which has adopted euro in 2007 and its economy is very similar to that of Czech Republic. The work finds out that the Eurozone has achieved a significant progress in the integration of its financial market, an improvement in its liquidity, costs of security issues and other aspects as well. Adoption of the euro in Slovenia has been successfull and it was not accompanied by substantial problems, except for an increase in inflation. However, the expected progress in the development of financial market is not observable yet, althought this fact may be attributed to many other external reasons, too. Finally the conslusion of this work implicates, that the Czech Republic has the oportunity to benefit from participating in a large integrated financal market and achieve a progress, that would never be possible if it remained separate.
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SAP Products for Utility Companies
Šafránek, Jan ; Koubský, Petr (advisor) ; Kopecký, Petr (referee)
SAP IS-U is de-facto industry standard for customer information systems for utility companies through Europe -- used in electricity, gas, district heating and water utilities industry. These core modules are needed for invoicing tasks and most classical day-to-day scenarios: * IS-U BF Basic Functions * IS-U MD Master Data * IS-U DM Device Management * IS-U BI-IN Billing Invoicing * FI-CA Contract Accounts Especially for large customers in electricity and gas industry, IS-U EDM Energy Data Management is used for management of interval reading consumption and profiles. As utility industry evolves through market liberalization, unbundling processes are covered by IS-U IDE Intercompany Data Exchange (with PI Process Integration as and integration platform). Additionally, IS-U Work Management can be used to connect IS-U processes with PM Plant Maintenance functionality of SAP ERP and service department processes can be covered through two different products: * IS-U CS Customer Service - Older solution, less robust but fully integrated and easier for implementation * SAP CRM -- Stand-alone product, more robust, full featured solution My diploma theses can be used as a brief introduction into the world of IS-U and I also tried to answer these two additional questions: * Common processes that are not covered by IS-U * Comparison of ASAP and MMDIS methodology
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Drivers of soil moisture trends in the Czech Republic between 1961 and 2012
Trnka, M. ; Brázdil, R. ; Balek, J. ; Semerádová, D. ; Hlavinka, P. ; Možný, M. ; Štěpánek, P. ; Dobrovolný, P. ; Zahradníček, P. ; Dubrovský, Martin ; Eitzinger, J. ; Fuchs, B. ; Svoboda, M. ; Hayes, M. ; Žalud, Z.
Soil moisture dynamics and their temporal trends in the Czech Republic are forced by various drivers. Our analysis of temporal trends indicates that shifts in drought severity between 1961 and 2012 and especially in the April, May, and June period, which displayed such results as a 50% increase in drought probability during 1961–1980 in comparison to 2001–2012. We found that increased global radiation and air temperature together with decreased relative humidity (all statistically significant at p < 0.05) led to increases in the reference evapotranspiration in all months of the growing season; this trend was particularly evident in April, May, and August, when more than 80% of the territory displayed an increased demand for soil water. These changes, in combination with the earlier end of snow cover and the earlier start of the growing season (up to 20 days in some regions), led to increased actual evapotranspiration at the start of the growing season that tended to deplete the soil moisture earlier, leaving the soil more exposed to the impacts of rainfall variability. These results support concerns related to the potentially increased severity of drought events in Central Europe. The reported trend patterns are of particular importance with respect to expected climate change, given the robustness and consistency of the trends shown and the fact that they can be aligned with the existing climate model projections. Introduction
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