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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
81

Quantum mechanical investigations of the dynamical and spectroscopic properties of compounds containing heavy elements : the CuNO case study

Krishna, Balasubramoniam Murali 20 December 2012 (has links) (PDF)
This thesis aims at validating a theoretical protocol to develop global potential energy surfaces for use in the spectroscopy and dynamics of transition metal nitrosyl complexes. To get an insight into the homogeneous catalysis of NO with Cu and the chemical reaction dynamics, an accurate prediction of the nature of the interaction, as well as of the global potential energy surfaces (PES) is necessary in the gas phase. Experimental data are difficult to obtain, hence the importance of carrying out calculations of the lowest electronic states as accurate as possible to address the structure , spectroscopy and dynamics of this system. All ab initio calulations we report here were performed at the multi-reference configuration interaction (MRCI) and at the coupled cluster level of theory. We aslo investigate the importance of relativistic effects in the systems. For CuNO system, it is shown that a complete active space involving 18 valence electrons, 11 molecular orbitals and the prior determination of 12 roots in the MCSCF calculation is needed for overall qualitatively correct results from the MRCI calculations. The present calculations yield a bound singlet A' ground state for CuNO and comparared with previous results. We have obtained new, complete potential energy functions of the ground electronic states of CuO and CuN systems. Comparison of the term values for the lowest electronic states of CuO and CuN with those previously reported in the literature shows a quite good agreement. We derived a novel analytical representation of the adiabatic potential energy surface in the ground electronic state of the CuNO system as a sum of two-body and three-body terms. This compact and flexible representation enables us to make a physically correct interpolation of the ab initio data points at the MRCI level of theory. We use a modified Levenberg-Marquardt algorithm for fitting the potential, which has 19 adjustable parameters and which now enables us to do scattering dynamics of the CuNO system. We perform full dimensional quantum dynamical studies with this new potential. Convergence of the time dependent wavepacket calculation has been achieved. We find that the scattering in CuNO is highly inelastic. Intermediate, excited meta stable reaction products CuNO∗ live for about 0.5 to 1 ps and maybe more.
82

Quantum mechanical investigations of the dynamical and spectroscopic properties of compounds containing heavy elements : the CuNO case study / Investigation quantique des propriétés dynamiques et spectroscopiques de composées contenant des éléments lourds : étude du cas CuNO

Krishna, Balasubramoniam Murali 20 December 2012 (has links)
Dans cette thèse, nous avons optimisé avec succès tous les paramètres pour calculer l'état fondamental du systéme neutre [N,O, Cu]. L'étude de réactions impliquant NO et des métaux de transition est particulièrement intéressante pour le développement de catalyses efficaces pour la réduction de NO, en vue de sonder la possibilité d'une catalyse homogène impliquant les fragments Cu et NO; une prévision précise de la nature de l'interaction entre ces deux fragments est nécessaire en phase gaz. Il a été montré que les calculs MCSCF incluant 12 racines sont nécessaires pour avoir une convergence propre mais donnent des états inversés, l'asymptote. Pour décrire proprement l'état fondamental, nous utilisons les calculs MRCI sur 6 états par espèce de symétrie simultanément. Aussi nous montrons par calculs MRCI, que l'espace actif peut contenir tous les électrons 3d de Cu pour décrire précisément le système. Ici nous utilisons un CAS (22, 13) qui est proche de l'espace de valence complète du système. Nous avons développé une SEP analytique globale qui peut être utilisée pour modéliser les données ab initio obtenues. L'état lié est un état 1 A’ avec une énergie de rCu = 2.382 pm, rNO = 1.134 pm et tCu = 133.495. Nous avons également effectué des calculs précis sur l'état électronique fondamental et sur les états électroniques excités des diatomiques CuO et CuN et obtenu l'énergie de dissociation qui a ensuite été utilisée comme paramètre d'ajustement dans la représentation analytique. Les fondamentaux vibrationnels calculés se comparent bien avec les données expérimentales disponibles. Le potentiel analytique a été utilisé avec succès avec les meilleurs paramètres ajustés pour effectuer des calculs de dynamique quantique sur le complexe, dont les résultats indiquent une diffusion réactive avec un transfert de l'énergie translatoire vers l'énergie vibrationnelle dans le domaine de temps de la femtoseconde. Des résultats plus avancés non-inclus dans ce résumé impliquent des calculs CCSD(T), incluant des corrections relativistes, et une fusion originale entre les données MRCI et CCSD(T) et modélisées avec la SEP analytique, dont les résultats donnent un puit de potentiel plus profond et réduisent la distance de liaison rCu (distance Cu-NO). Nous avons aussi effectué des études de dynamique quantique avec un facteur d'impact variant (J > 0) et une diffusion des énergies de collision, toutes deux dans une approche soit isotrope, soit directionnelle du paquet d'onde initial. / This thesis aims at validating a theoretical protocol to develop global potential energy surfaces for use in the spectroscopy and dynamics of transition metal nitrosyl complexes. To get an insight into the homogeneous catalysis of NO with Cu and the chemical reaction dynamics, an accurate prediction of the nature of the interaction, as well as of the global potential energy surfaces (PES) is necessary in the gas phase. Experimental data are difficult to obtain, hence the importance of carrying out calculations of the lowest electronic states as accurate as possible to address the structure , spectroscopy and dynamics of this system. All ab initio calulations we report here were performed at the multi-reference configuration interaction (MRCI) and at the coupled cluster level of theory. We aslo investigate the importance of relativistic effects in the systems. For CuNO system, it is shown that a complete active space involving 18 valence electrons, 11 molecular orbitals and the prior determination of 12 roots in the MCSCF calculation is needed for overall qualitatively correct results from the MRCI calculations. The present calculations yield a bound singlet A' ground state for CuNO and comparared with previous results. We have obtained new, complete potential energy functions of the ground electronic states of CuO and CuN systems. Comparison of the term values for the lowest electronic states of CuO and CuN with those previously reported in the literature shows a quite good agreement. We derived a novel analytical representation of the adiabatic potential energy surface in the ground electronic state of the CuNO system as a sum of two-body and three-body terms. This compact and flexible representation enables us to make a physically correct interpolation of the ab initio data points at the MRCI level of theory. We use a modified Levenberg-Marquardt algorithm for fitting the potential, which has 19 adjustable parameters and which now enables us to do scattering dynamics of the CuNO system. We perform full dimensional quantum dynamical studies with this new potential. Convergence of the time dependent wavepacket calculation has been achieved. We find that the scattering in CuNO is highly inelastic. Intermediate, excited meta stable reaction products CuNO∗ live for about 0.5 to 1 ps and maybe more.
83

Detekce skrytých přenašečů dědičné katarakty u psů pomocí PCR / PCR-based detection of hidden carriers of cataracts in dogs

FARKOVÁ, Barbora January 2015 (has links)
The hereditary cataract is one of the most common eye disease in dogs. The expansion of this disease in the Staffordshire bullterrier breed has been so massive that in the Czech Republic was introduced the rule of mandatory testing of at least one of a breeding pair. This is a degenerative disease of the lens causing total blindness of the affected animal within three years. Since some time ago there are no more dogs affected by the disease in the Czech Republic, there are however still hidden carriers which need to be discovered to the complete extinction of the disease in the genome. The goal of this study was to test simple ways of collecting biological samples, try them in practice and to verify whether they are suitable for the DNA isolation and also to test an alternative method of molecular detection of this disease. In total there have been 23 buccal swabs collected from male and female Staffordshire Bullterrier examples. The detection of the hidden carriers of the hereditary cataract was carried out by PCR analysis with specific primers. The obtained amplicons were detected by both gel and chip electrophoresis and by using fragment analysis. This detection of the carriers was based on the presence of two amplicons (heterozygotes). I came to conclusion that to detect hidden carriers it is neccessary to use the fragment analysis because of the difference of only one base in the reference section of DNA. Neither gel nor chip electrophoresis does provide sufficiently high resolution and it is not possible to detect two fragments that differ only by one bp. As the most appropriate sampling method I have chosen the buccal smear by cytological brush followed by isolating the DNA by Chelex with purification of the sample subsequently.
84

Faktory ovlivňující délku pobytu psa v útulku / Factors influencing how long a dog stays in a shelter

PRŮŠOVÁ, Zdenka January 2016 (has links)
There were 1 643 dogs accepted to the dog shelter in Tábor in the years 20082015, wherein the amount of annualy accepted dogs slightly decreased. Dogs, that were returned to the original owner, spent shorter time (median 1 day) in the shelter than dogs, that were left alone and found a new home (median 18 days). The shelter accepted more male than female dogs. Simultaneously, male spent in the shelter longer time than female. Most of the dogs accepted to the shelter were younger than 1 year. The most common colour was black, the majority of dogs had a short and soft hair. Hybrids predominated among accepted dogs, following by German shepherds, Labrador retrievers and Dachshunds (or their hybrids). Dogs with a good character prevailed in the shelter. Data on abandoned dogs were statistically processed. There were found a significant effect of following variables on the length of stay in the shelter - age, height, purebred, temperament, colour, length and type of hair, and also the month of entry into the shelter. With increasing age and size (height) of dog there was demonstrably extended length of dogs stay in the shelter before they were adopted, as well as an aggressive character and dogs accepted in the shelter in October or November. Interestingly, the visually purebred dogs (corresponding to a certain breed standard) looked for a new home longer time than hybrids, provably. On the other hand, dogs with a light-coloured, soft or short hair and dogs accepted in February or April stayed in the shelter shorter time. When advertising the abandoned dogs for adoption, it is necessary to focus primarily on dogs that spend in the shelter longer time on average that means male dogs, large dogs, older dogs, dogs with long, black or rough hair and aggressive or temperamental dogs.
85

Změny vyplývající z nového katastrálního zákona pro katastrální úřady a jejich klienty / Changes in cadastral offices and their clients arising from the new Cadastral act

Kubát, Petr January 2016 (has links)
This diploma thesis deals with issues of entering data regarding the right of ownership and other real rights into the cadaster of real estates. Issues of the data entry are compared before and after the new cadastral law went into effect in year 2014. Theoretical part briefly summarizes historical development of evidence of real estates in the area of current Czech Republic. Both cadastral laws and other law regulations are characterized. Further, the process of data entry of real rights is described along with the changes introduced by the new cadastral law. Practical part presents data obtained at the cadastral office of Litoměřice. Data gathered in years 2013 and 2014 are compared including the changes for the office employees and their clients stemming from the new cadastral law. Recommendations that could lead to improvement of operations of the cadastral offices and greater satisfaction of clients are suggested based on the evaluated data.
86

Odolnosť ľudského pachu voči chemickým detergentom / Ability of dogs to discriminate human odor exposed to chemical detergent

Čajágiová, Martina January 2016 (has links)
In the recherche part of our thesis we familiarize ourselves with the human odor, theories of its origin, definition, anatomy of human skin and odors, composition of individual human odors and with odor secretion. We also look closer on the topics of odor absorbent and its use in the world, the transmission of odors to odor sensors and securing of scents. This section of our thesis discusses the resistance and survival abilities of odor, scent identification method and its history, organic acids, and defines the application of laundry detergents and ultrasonic washers. Aim of our thesis was to verify the relevance of the use of chemical detergents in the purification process when working with scents. We tried to verify the ability of detergents to degrade the human scent on odor absorbents to such an extent, that specially trained dogs would not be able to identify it. Our experiment was following a precise determination methodology. In the first phase samples were collected from the hands of targeted persons to a scent carrier - a metal cylinder (extirpate odour), by one researcher. In the second phase samples were collected from the body to a textile carrier, by another researcher. The metal scent carriers were processed. Some of them were left as they were (control sample) and some were exposed to chemical detergents with and without usage of an ultrasonic washer. In the experiment where we tried to identify the odour samples, six bitches of German shepherd were used. They were specially trained for odour identification. Each dog was let three times to identify the target scent exposed to a detergent and three times to identify the target scent not exposed to a detergent. Target smell was randomly deposited between other samples and its position was changed, so that the handler did not know its position and thus was unable to affect the work of his dog. The indicator of positive identification was a sign the dogs were taught - to sit or lay in front of a sample. Any dog was unable to identify the scent which was exposed to chemical detergent and all dogs identify the scent unexposed to a chemical detergent. Our experiment has shown that the use of chemical detergents in the purification process when working with scents is relevant to the degradation of individual human scent.
87

Ecologia de Megacerus baeri (PIC, 1934) e Megacerus reticulatus (Sharp, 1885) (Coleoptera : Bruchidae) em duas espécies de convolvulaceae (Ipomoea imperati e Ipomoea pes-caprae) nas dunas da Praia da Joaquina, Florianópolis, SC

Scherer, Karla Zanenga January 2004 (has links)
Aspectos da ecologia dos bruquídeos Megacerus baeri (Pic, 1934) e M. reticulatus (Sharp, 1885) foram analisados em suas plantas hospedeiras Ipomoea imperati (Vahl) Grisebach e I. pes-caprae (L.) R. Brown, em área de restinga, no sul do Brasil. A distribuição do recurso e a fenologia das plantas hospedeiras, os padrões de oviposição, a sobrevivência das larvas e dos adultos, o tempo de desenvolvimento, as taxas de predação e as flutuações populacionais destas duas espécies de bruquídeos foram descritas e quantificadas. Os esforços regulares de amostragem foram concentrados em duas áreas fixas, uma para cada espécie de Ipomoea, na praia da Joaquina, Ilha de Santa Catarina, 27o 10’ S e 48o 35’ W. O registro sistemático das informações foi iniciado em agosto de 1999, seguindo até julho de 2001, englobando dois ciclos reprodutivos, tanto das plantas hospedeiras, quanto dos bruquídeos. No local de estudo, os ovos de M. baeri podem ser observados em frutos e sementes de I. imperati e I. pes-caprae, enquanto que os ovos de M. reticulatus ocorrem apenas em frutos de I. pescaprae. No total foram realizadas 109 saídas de campo perfazendo 316 horas de observação direta. As observações foram realizadas em 21 quadrados, para cada área de Ipomoea, que foram mantidos ao longo de todo estudo. I. imperati e I. pes-caprae apresentaram padrão altamente sazonal para quase todas as fenofases. A atividade reprodutiva, para ambas as espécies de plantas, coincidiu com o aumento da temperatura e do fotoperíodo. A duração dos eventos fenológicos foi diferente, sendo mais longa para I. imperati (8 a 12 meses), que para I. pes-caprae (4 a 7 meses). Houve associação significativa entre a presença de ovos de M. baeri e M. reticulatus e as fenosfases de frutos das duas espécies de Convolvulaceae, assim como foi significativa a relação entre a ocorrência relativa de ovos e o tamanho dos frutos. A relação significativa entre o número médio de ovos por fruto e o tamanho do fruto sugerem que as fêmeas possam discriminar o fruto pelo tamanho quando colocam os ovos. Durante a postura, M. baeri utilizou principalmente o ápice da cápsula dos frutos de I. imperati e a semente dos frutos de I. pes-caprae, enquanto M. reticulatus utilizou principalmente o estilete de I. pescaprae. Em laboratório, 39 fêmeas de M. baeri colocaram 443 ovos em sementes das duas espécies de Convolvulaceae, mas apenas 18,06 % chegaram ao estágio adulto, indicando elevado grau de mortalidade na fase de ovo ou de larva. Os ovos foram depositados primeiro nas sementes de I. pes-caprae, mesmo aquelas nascidas de I. imperati. A longevidade média dos adultos, em laboratório, foi de 17,9 ± 4,8 dias para machos e 20,7 ± 7,4 dias para fêmeas. O tempo médio de desenvolvimento, em condições naturais, não diferiu entre os sexos e nem entre as espécies de Megacerus, assim como o tempo de desenvolvimento de M. baeri também não diferiu entre as espécies de Ipomoea. Em I. pes-caprae a abundância dos adultos de M. baeri foi duas vezes maior e o número de ovos 4,5 vezes maior que os de M. reticulatus. Ambas as espécies de Megacerus utilizaram principalmente frutos em estágio de amadurecimento para a colocação dos ovos e os picos foram registrados sempre no verão. A predação de 13 % dos frutos I. pes-caprae (n= 333) pelas duas espécies de Megacerus e pela mariposa Ephestia kuhniella (Pyralidae), inviabilizou 4,24 % das sementes (n= 1107). A abundância de adultos e ovos foi afetada, respectivamente, pela disponibilidade das flores e dos frutos de I. pes-caprae, ao longo dos dois ciclos reprodutivos em que foram acompanhados. Em I. imperati, a abundância dos adultos de M. baeri foi sempre baixa e o número de ovos foi 1,9 vezes maior no primeiro ciclo reprodutivo que no segundo. As fêmeas utilizaram mais a fenofase de frutos em amadurecimento para a colocação dos ovos e ocorreram dois picos, um no verão e outro no outono. A predação por M. baeri afetou 73% dos frutos (n=333) de I. imperati e inviabilizou 67,6% das sementes (n=274). M. baeri utilizou sementes com maior tamanho médio quando comparado à média das sementes não predadas. A abundância dos adultos, embora pequena, foi afetada pela disponibilidade das flores de I. imperati, nos dois ciclos reprodutivos, assim como a abundância dos ovos foi afetada pela disponibilidade das diferentes fenofases de frutos.
88

ZDRAVOTNĚ SOCIÁLNÍ DOPADY SOUŽITÍ ČLOVĚKA A PSA / HEALTH AND SOCIAL IMPACT OF HUMAN AND DOG CO-EXISTENCE

KARAFIÁTOVÁ, Iva January 2010 (has links)
ABSTRACT The thesis called Health and Social Impacts of Human and Dog Co-existence is a paper describing the development of a human and a dog relationship since old times until present. It deals with the origin of a dog and describes the development of understanding between a human and a dog, which lasts up to the present day. The paper offers an integrated survey on the ways the dogs are used at present, especially in health and social areas. It informs the readers on the dog use possibilities, the care for dogs, and also the principles of communication, which enable quality and peaceful life of a human and a dog. The first objective was to find out what is the respondents´ knowledge on the dog use possibilities in the society. This objective was fulfilled and the hypothesis was proved. Respondents do not know even a half of possible dog use in co-existence with people. The second objective was to find out how respondents perceive the presence of dogs in their surroundings in relation to children. The objective was also fulfilled, however, the hypothesis that more than 75 per cent of respondents are careful during the contact of a child with a dog, was disproved. Quite a high percentage of people nderestimate the possible risk during the contact of a child with a dog. The third objective was focused on the awareness of respondents of the dog body signals. The hypothesis was proved in this case and out of the results it is evident that the people lack information on the signals sent by dogs. For finding out the needed data the questionnaire research was used. The questionnaire was composed of 24 questions and handed out to 350 respondents. The result of the research was the proving of three above mentioned hypotheses. One of them was disproved, the rest was proved. The awareness of respondents is not high. 44 per cent of owners are threatened by the risk of wound caused by their own dog. Everything is the result of insufficient education in the area. I see preventive programmes focused on the principles of proper co-existence of a human and a dog, which start in kindergarten, as a possibility to lower the risk of wounds or bites caused by dogs.
89

České překlady románů Andrey Camilleriho / Czech translations of Andrea Camilleri´s novels

DRÁBKOVÁ, Lucie January 2013 (has links)
In my Thesis I deal with the translation theory based on the work and novels of the Sicilian writer Andrea Camilleri. Analyzing his Czech translations, and comparing them with the experiences and models from Alice Flemrová and Kateřina Vinšová when interpreting the typical Camilleri style. My observations were based on the author's life and what shaped him into the entity known by his readers.
90

Vztah tělesné stavby k technice skoku psů / Correltion between body proportions and jump technique of dogs

VAZDOVÁ, Pavlína January 2012 (has links)
The aim of this thesis was to determine whether there are differences in the length of a jump among individual breeds and whether the proportions of the body and body indices influence the length of the jump. In total 84 individuals of three model breeds (German Shepherd, Belgian Shepherd and Border Collie) were studied. For each individual dog six body measurements were taken and used to calculate the ratios of physical parameters (indices). In addition to the measuring, the jump over an obstacle was video recording for ad-hoc analysis of the jump parameters. Using the described methods was proven that the breed, individual training experience and body measurements have significant influence on jump performance, or more precisely on take-off and jump length. The impact of analyzed aspects on landing was significantly lower. Jump length is closely related to the depth/height index and the width of the chest. The worst performance was statistically identified at dogs with low value of the balance index. The results indicate that characteristics examined in this thesis (namely breed and the body measurements and indices) can be used for preselecting individuals with higher jump potential.

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