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1

SANTOS, MARCO ANTONIO CETALE. "PHASE-SHIFT DEPTH MIGRATION FOR QP AND QSV WAVEFIELDS ON LOCALLY TRANSVERSE ISOTROPIC (LTI) MEDIA". PONTIFÍCIA UNIVERSIDADE CATÓLICA DO RIO DE JANEIRO, 2003. http://www.maxwell.vrac.puc-rio.br/Busca_etds.php?strSecao=resultado&nrSeq=4373@1.

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CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO
Este trabalho propõe uma técnica do tipo rotação de fase para migração em profundidade de dados sísmicos para meios com simetria polar local (localmente transversalmente isotrópicos, LTI), nos quais a direção do eixo de simetria varia continuamente ao longo das camadas. São testadas, através de simulações numéricas de levantamentos sísmicos, a precisão e a estabilidade do método, em função da variação do eixo de simetria. Para a realização das simulações, desenvolveu-se um método a partir da solução da equação elástica da onda usando-se a técnica das diferenças finitas, que possibilita a modelagem em meios LTI, onde cada ponto da malha tem suas características definidas pelas velocidades de fase P e SV, parâmetros de Thomsen, densidade e inclinação do eixo de simetria. Na separação dos modos de onda qP e qSV dos sismogramas, implementou-se um algoritmo baseado na solução da equação de Christoffel para determinar os operadores de separação. A migração para cada família de tiro comum é realizada por soluções da equação da onda usando somente técnicas de rotações de fase. De fato, tanto a depropagação do campo registrado quanto a geração das matrizes de tempo utilizadas na condição de imageamento, são realizadas por soluções que envolvem rotações de fase para cada conjunto de parâmetros, em cada nível de profundidade. Nos resultados das migrações usando reflexões dos tipos qP-qP, e qP-qSV, os horizontes foram localizados precisamente e verificou-se que o processo é estável em relação à variação do eixo de simetria. Vale ressaltar que o método não está restrito a aquisições sísmicas multicomponentes, podendo ser aplicado em dados sísmicos marítimos convencionais, como também em dados provenientes de aquisições do tipo OBC (Ocean Bottom Cable) e com cabo vertical. Como o método proposto se baseia em algoritmos que utilizam técnicas de rotação de fase, a sua implementação conta com o beneficio de ser altamente paralelizável.
This work proposes a technique based on the phase-shift method to implement pre-stack depth migration on locally transverse isotropic media (LTI), in which the direction of the symmetry axis varies continually along the layers. Through numerical seismic data simulations the methods robustness and stability were tested in relation to the axis symmetry variations. For seismic modeling, a generalization of the finite differences method for the solution of the elastic wave equation was used. With this procedure, it was possible to accommodate seismic modeling on LTI media defined by six parameters at each grid point, i.e., density, P and S wave propagation velocities along the local symmetry axis, Thomsen parameters and, the direction of the local symmetry axis itself. In order to separate from the seismograms the qP and qSV wavefields, an algorithm based on the Christoffel equation was implemented. The migration for each common shot gather is implemented solely by phase-shift based algorithms, which means that not only the depropagation of the registered wavefield, but also the generation of the time matrices involved in the imaging condition were obtained in this manner for each set of parameters at each depth level. The migration results using qP-qP and qP-qSV reflections show that the horizons were located precisely, and that the process is stable in relation to the symmetry axis variations. The proposed method is not restricted to multicomponent seismic acquisitions, but it can be applied to marine seismic data using streamers, or Ocean Bottom Cables or vertical cables. Since the proposed method uses phaseshift algorithms, its parallel implementation can be highly efficient.
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2

Outram, Philip James. "QSO absorption systems". Thesis, University of Cambridge, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.624575.

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Webb, J. K. "QSO absorption lines". Thesis, University of Cambridge, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.234000.

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The absorption lines found in the spectra of distant quasars provide a unique method of probing the physical conditions in the universe at early epochs. This thesis describes a study of the Lyman alpha forest absorption systems seen in the spectra of high redshift QSOs. The Anglo-Australian Telescope has been used to obtain high resolution spectra of several bright QSOs. Considerable effort has gone into developing statistical techniques for profile fitting to the data to objectively and reliably extract the parameters associated with each absorbing cloud. The distribution functions for these are given and discussed. Particular attention has been paid to the clustering properties of the Lyman alpha clouds and it is found that they are weakly (but significantly) clustered on small velocity scales. Possible interpretations of this result are discussed. One especially interesting aspect of QSO absorption systems concerns the potential for measuring, or obtaining limits on, the deuterium to hydrogen abundance at high redshifts. A knowledge of this quantity is important for constraining cosmological models and can also help us to understand the chemical evolution of light elements in galaxies. A series of numerical simulations has been carried out to explore the potential for such measurements and an absorption system has been analysed to obtain an upper limit to D/H at z = 3.
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Smith, Robert James. "QSO clustering and environments". Thesis, University of Cambridge, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.624809.

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5

Jahnke, Knud. "Stellar populations of QSO host galaxies". [S.l.] : [s.n.], 2002. http://deposit.ddb.de/cgi-bin/dokserv?idn=965227995.

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6

Zare, Haidi. "On spherical classes in H*QSⁿ". Thesis, University of Manchester, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.499135.

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We consider the problem of determining spherical classes In H*QS¹. We take a geometrical approach and show how existence of specific classes as a spherical class In H*QS¹ will determine the type of homology operations that can detect the related homotopy class. Most of our results here are quite general, and can be applied to H*QX, with X an arbitrary path connected space. We see this as an approach to attack the conjecture of Ed Curtis about spherical classes in H*Q₀S⁰.
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Ellison, S. L. "The chemical evolution of QSO absorbers". Thesis, University of Cambridge, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.598835.

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Using quasar absorption lines as a probe of the high redshift universe is a powerful tool in the field of chemical evolution. In this thesis, I consider the elemental abundances in absorbers that correspond to a variety of environments, ranging from high redshift galaxies to the low density intergalactic medium. I firstly address the question of abundances in intermediate redshift (zabs < 1.5) damped Lyα systems (DLAs), objects believed to correspond to the progenitors of present day massive galaxies. I present Hubble Space Telescope (HST) spectra of six intermediate redshift DLAs which have been supplemented with high resolution spectroscopy obtained with the high resolution echelle spectrograph (HIRES) on the Keck telescope. The chemical abundances of a range of elements are investigated and compared with local Galactic values in order to gain an insight into the metallicities, dust-to-gas ratios and star formation histories of these systems. The results from this work have inspired a new survey for DLAs based on a radio-selected sample of QSOs. The motivation for this endeavour has been to determine the extent to which our current view of distant galaxies is obscured by dust. I present intermediate resolution spectra obtained at the Anglo-Australian Telescope (AAT) from which DLAs may be identified. The number statistics of the newly discovered DLAs are analysed in order to determine whether obscuration by dust of background QSOs causes a significant observational bias. Finally, I consider the metallicity of the IGM by studying C IV systems associated with the Lyα forest at z ~ 3. The extent to which the IGM has been polluted with metals will provide important clues to the enrichment mechanism. I firstly investigate the column density distribution function of strong C IV absorbers associated with high column density Lyα clouds. This work is then extended to consider the C IV/H 1 ratio in low column density absorbers which are associated with physically less dense material. The spectra of two high redshift QSOs are analysed using two different techniques, both of which are critically assessed using synthetic spectra.
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Larrea, Erik Aris Stengler. "Cosmological evolution of QSO absorption systems". Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.339588.

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9

Natale, Louis, e John Roach. "The F-22A Quick Response Package-QRP". International Foundation for Telemetering, 2011. http://hdl.handle.net/10150/595676.

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ITC/USA 2011 Conference Proceedings / The Forty-Seventh Annual International Telemetering Conference and Technical Exhibition / October 24-27, 2011 / Bally's Las Vegas, Las Vegas, Nevada
The F-22 Quick Response Package was designed to efficiently solve aircraft anomalies in the field. Providing this capability would enhance aircraft combat availability and lower maintenance costs. Using the current F-22 instrumentation flight test system design package as a baseline, a smaller, and much more versatile, version of the system was designed. This new design concept includes a data acquisition and recording system on a single pallet called the Quick Response Package (QRP). The QRP can be installed in any operational F-22 war fighter in a single production shift with no intrusion to the aircraft's systems readiness. The data acquisition and recording capabilities provide a near real-time field solution without excessive downtime or pilot intervention. This paper describes the design requirements, the design concept and packaging details of the QRP.
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López-Corredoira, M., F. Melia, E. Lusso e G. Risaliti. "Cosmological test with the QSO Hubble diagram". World Scientific Publishing, 2016. http://hdl.handle.net/10150/615119.

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A Hubble diagram (HD) has recently been constructed in the redshift range $0\lesssim z\lesssim 6.5$ using a non-linear relation between the ultraviolet and X-ray luminosities of QSOs. The Type Ia SN HD has already provided a high-precision test of cosmological models, but the fact that the QSO distribution extends well beyond the supernova range ($z\lesssim 1.8$), in principle provides us with an important complementary diagnostic whose significantly greater leverage in $z$ can impose tighter constraints on the distance versus redshift relationship. In this paper, we therefore perform an independent test of nine different cosmological models, among which six are expanding, while three are static. Many of these are disfavoured by other kinds of observations (including the aforementioned Type Ia SNe). We wish to examine whether the QSO HD confirms or rejects these earlier conclusions. We find that four of these models (Einstein-de Sitter, the Milne universe, the Static Universe with simple tired light and the Static universe with plasma tired light) are excluded at the $>99\%$ C.L. The Quasi-Steady State Model is excluded at $>95$\% C.L. The remaining four models ($\Lambda$CDM/$w$CDM, the $R_{\rm h}=ct$ Universe, the Friedmann open universe and a Static universe with a linear Hubble law) all pass the test. However, only $\Lambda$CDM/$w$CDM and $R_{\rm h}=ct$ also pass the Alcock-Paczy\'nski (AP) test. The optimized parameters in $\Lambda$CDM/$w$CDM are $\Omega _m=0.20^_$ and $w_{de}=-1.2^_$ (the dark-energy equation-of-state). Combined with the AP test, these values become $\Omega _m=0.38^_$ and $w_{de}=-0.28^_$. But whereas this optimization of parameters in $\Lambda$CDM/$w$CDM creates some tension with their concordance values, the $R_=ct$ Universe has the advantage of fitting the QSO and AP data without any free parameters.
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11

Perez, Delgado Carlos Antonio. "An Optimizing Pulse Sequence Compiler for NMR QIP". Thesis, University of Waterloo, 2003. http://hdl.handle.net/10012/1042.

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Quantum information processing is a multi-disciplinary science involving physics, mathematics, computer science, and even quantum chemistry. It is centred around the idea of manipulating physical systems at the quantum level, either for simulation of physical systems, or numerical computation. Although it has been known for almost a decade that a quantum computer would enable the solution of problems deemed infeasible classically, constructing one has been beyond today's capabilities. In this work we explore one proposed implementation of a quantum computer: Nuclear Magnetic Resonance (NMR) spectroscopy. We also develop a numerical software tool, a pulse sequence compiler, for use in the implementation of quantum computer programs on an NMR quantum computer. Our pulse sequence compiler takes as input the specifications of the molecule used as a quantum register, the desired quantum gate, and experimental data on the actual effects of RF pulses on a sample of the molecule, and outputs an optimum set of pre and post 'virtual' gates that minimize the error induced.
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Tämm, Kaido. "QSPR modeling of some properties of organic compounds /". Online version, 2006. http://dspace.utlib.ee/dspace/bitstream/10062/475/5/tammkaido.pdf.

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13

Dinshaw, Nadine 1964. "The spatial extent and correlations of QSO absorbers". Diss., The University of Arizona, 1996. http://hdl.handle.net/10150/290639.

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The lines of sight to QSOs are powerful probes of large-scale structure from redshifts corresponding to the most distant QSOs to the local universe. In this thesis, spectroscopy of QSO pairs and groups are used to study superclustering at high redshift and to estimate the tranverse dimensions of the Lyα absorbers. We present high resolution (∼30km s⁻¹) echelle spectra obtained with the CTIO 4-m telescope of the wide QSO pair Tol 1037—2704 (z(em) = 2.193) and Tol 1038—2712 (z(em) = 2.331), as well as two neighboring quasars. The quasars exhibit a large number of apparently correlated C IV absorption systems over a narrow redshift range 1.48 ≤ 2 ≤ 2.15 which is thought to be produced by an intervening supercluster. The velocity correlation function of C IV absorbers distributed among the four lines of sight show significant clustering signal on comoving scales out to ∼30 h⁻¹ Mpc at redshift z ∼ 2 (h ≡ H₀/100 km s⁻¹ Mpc⁻¹; q₀ = 0.5). The spatial correlation function shows a marginally significant peak on scales of < 18h⁻¹ Mpc. The clustering amplitude on these scales is larger than that predicted by current theories of the formation of large scale structure. We present spectroscopy of three close pairs of quasars with angular separations 10" to 2' in order to measure the sizes of the Lyα forest absorbers from scales of a few tens of kpc out to hundreds of kpc. Ground-based estimates of the pair Q1343+2640.A (z(em) = 2.029) and B (z(em) = 2.031) imply a characteristic radius of the Lyα absorbers of ∼100 h⁻¹ kpc at z ≃ 2. Ultraviolet FOS spectra of the pair Q0107—025A (z(em) = 0.956) and B (z(em) = 0.952) in the redshift range 0.5 < 2 < 0.9 show a number of Lyα absorption features common to both spectra as well as several features which are not in common, and imply characteristic radii of 400 h⁻¹ kpc to bigger than 1 h⁻¹ Mpc. Furthermore, the rms velocity difference between the common systems between the two lines of sight is only about 100 km s⁻¹ These measurements lead to a picture of absorbing clouds that are larger in extent than previously thought and surprisingly quiescent. Using a new statistical technique, we tested the relative likelihood of three geometric models, namely, spherical absorbers, with and without a distribution in size, as well as filamentary and disk-like absorbers. Spherical absorbers with uniform radius cannot represent the observations and are ruled out. Randomly-inclined disks and filaments match the data comparably, with disks being slightly favored over filaments. Our results are in remarkable agreement with hydrodynamical simulations in which the Lyα absorption is found to arise in diverse structures with coherence lengths as great as 1 Mpc. Finally, we present FOS observations of a second pair of quasars, LB 9605 (z(em) = 1.834) and LB 9612 (z(em) = 1.898), over the redshift range 1.1 < z < 1.7 from which we placed an 95% confidence upper limit on the radii of the Lyα absorbers of 280 h⁻¹ kpc. The estimates span the redshift range 0.5 < z < 2, corresponding to roughly a third of the age of the universe, and provide tantalizing evidence for evolutionary growth in the size of the Lyα absorbers
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Al-Fahemi, Jabir Hamad. "Momentum-space descriptors for QSPR and QSAR studies". Thesis, University of Liverpool, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.439465.

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Espinosa, Porragas Gabriela. "Modelos QSPR/QSAR/QSTR basados en sistemas neuronales cognitivos". Doctoral thesis, Universitat Rovira i Virgili, 2002. http://hdl.handle.net/10803/8505.

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Un área sumamente interesante dentro del modelado molecular es el diseño de nuevos compuestos. Con sus propiedades definidas antes de ser sintetizados. Los métodos QSPR/QSAR han demostrado que las relaciones entre la estructura molecular y las propiedades físico químicas o actividades biológicas de los compuestos se pueden cuantificar matemáticamente a partir de parámetros estructurales simples.
Las redes neuronales (ANN) constituyen una alternativa para el desarrollo de algoritmos predictivos aplicados en diversos campos como: análisis masivo de bases de datos, para subsanar los obstáculos derivados de la selección o la multicolinealidad de variables, así como la sensibilidad de los modelos a la presencia de ruido en los datos de entrada al sistema neuronal. En la mayoría de los casos, las redes neuronales han dado mejores resultados que los métodos de regresión multilineal (MLR), el análisis de componentes principales (PCA), o los métodos de mínimos cuadrados parciales (PLS) debido a la no linealidad inherente en los modelos de redes.

En los últimos años el interés por los modelos QSPR/QSAR basados en redes neuronales se ha incrementado. La principal ventaja de los modelos de redes recae en el hecho que un modelo QSAR/QSPR puede desarrollarse sin especificar a priori la forma analítica del modelo. Las redes neuronales son especialmente útiles para establecer las complejas relaciones existentes entre la salida del modelo (propiedades físico químicas o biológicas) y la entrada del modelo (descriptores moleculares). Además, permiten clasificar los compuestos de acuerdo a sus descriptores moleculares y usar esta información para seleccionar el conjunto de índices capaz de caracterizar mejor al conjunto de moléculas. Los modelos QSPR basados en redes usan principalmente algoritmos del tipo backpropagation. Backpropagation es un sistema basado en un aprendizaje por minimización del error. Sin embargo, ya que los compuestos químicos pueden clasificarse en grupos de acuerdo a su similitud molecular, es factible usar un clasificador cognitivo como fuzzy ARTMAP para crear una representación simultánea de la estructura y de la propiedad objetivo. Este tipo de sistema cognitivo usa un aprendizaje competitivo, en el cual hay una activa búsqueda de la categoría o la hipótesis cuyos prototipos provean una mejor representación de los datos de entrada (estructura química).

En el presente trabajo se propone y se estudia una metodología que integra dos sistemas cognitivos SOM y fuzzy ARTMAP para obtener modelos QSAR/QSPR. Los modelos estiman diferentes propiedades como las temperaturas de transición de fase (temperatura de ebullición, temperatura de fusión) y propiedades críticas (temperatura y presión), así como la actividad biológica de compuestos orgánicos diversos (indicadores de toxicidad). Dentro de este contexto, se comparan la selección de variables realizados por métodos tradicionales (PCA, o métodos combinatorios) con la realizada usando mapas auto-organizados (SOM).

El conjunto de descriptores moleculares más factible se obtiene escogiendo un representante de cada categoría de índices, en particular aquel índice con la correlación más alta con respecto a la propiedad objetivo. El proceso continúa añadiendo índices en orden decreciente de correlación. Este proceso concluye cuando una medida de disimilitud entre mapas para los diferentes conjuntos de descriptores alcanza un valor mínimo, lo cual indica que el añadir descriptores adicionales no provee información complementaria a la clasificación de los compuestos estudiados. El conjunto de descriptores seleccionados se usa como vector de entrada a la red fuzzy ARTMAP modificada para poder predecir.

Los modelos propuestos QSPR/QSAR para predecir propiedades tanto físico químicas como actividades biológicas predice mejor que los modelos obtenidos con métodos como backpropagation o métodos de contribución de grupos en los casos en los que se apliquen dichos métodos.
One of the most attractive applications of computer-aided techniques in molecular modeling stands on the possibility of assessing certain molecular properties before the molecule is synthesized. The field of Quantitative Structure Activity/Property Relationships (QSAR/QSPR) has demonstrated that the biological activity and the physical properties of a set of compounds can be mathematically related to some "simple" molecular structure parameters.

Artificial neural network (ANN) approaches provide an alternative to established predictive algorithms for analyzing massive chemical databases, potentially overcoming obstacles arising from variable selection, multicollinearity, specification of important parameters, and sensitivy to erroneous values. In most instances, ANN's have proven to be better than MLR, PCA or PLS because of their ability to handle non-linear associations.

In the last years there has been a growing interest in the application of neural networks to the development of QSAR/QSPR. The mayor advantage of ANN lies in the fact QSAR/QSPR can be developed without having to a priori specify an analytical form for the correlation model. The NN approach is especially suited for mapping complex non-linear relationships that exists between model output (physicochemical or biological properties) and input model (molecular descriptors). The NN approach could also be used to classify chemicals according to their chemical descriptors and used this information to select the most suitable indices capable of characterize the set of molecules. Existing neural networks based QSAR/QSPR for estimating properties of chemicals have relied primarily on backpropagation architecture. Backpropagation are an error based learning system in which adaptive weights are dynamically revised so as to minimize estimation errors of target values. However, since chemical compounds can be classified into various structural categories, it is also feasible to use cognitive classifiers such as fuzzy ARTMAP cognitive system, for unsupervised learning of categories, which represent structure and properties simultaneously. This class of neural networks uses a match-based learning, in that it actively searches for recognition categories or hypotheses whose prototype provides an acceptable match to input data.

The current study have been proposed a new QSAR/QSPR fuzzy ARTMAP neural network based models for predicting diverse physical properties such as phase transition temperatures (boiling and melting points) and critical properties (temperature and pressure) and the biological activities (toxicity indicators) of diverse set of compounds. In addition, traditional pre-screening methods to determine de minimum set of inputs parameters have been compared with novel methodology based in self organized maps algorithms.

The most suitable set of molecular descriptor was obtained by choosing a representative from each cluster, in particular the index that presented the highest correlation with the target variable, and additional indices afterwards in order of decreasing correlation. The selection process ended when a dissimilarity measure between the maps for the different sets of descriptors reached a minimum valued, indicating that the inclusion of more descriptors did not add supplementary information. The optimal subset of descriptors was finally used as input to a fuzzy ARTMAP architecture modified to effect predictive capabilities.

The proposed QSPR/QSAR model predicted physicochemical or biological activities significantly better than backpropagation neural networks or traditional approaches such as group contribution methods when they applied.
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Aguado, Ullate Sonia. "Modeling of homogeneous catalysis: from dft to qspr approaches". Doctoral thesis, Universitat Rovira i Virgili, 2012. http://hdl.handle.net/10803/79119.

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La catálisis es un campo de la ciencia que explora soluciones a los problemas ambientales como la contaminación, la eliminación de los residuos generados en el proceso de síntesis de materiales o la regeneración de los recursos naturales. En la presente Tesis, hemos reportado un estudio de cálculos DFT para la σ activación del enlace NH de amoníaco considerando las especies μ3-alquilidinos de titanio utilizando el complejo modelo [{Ti(η5-C5H5)(μ-O)}3(μ3-CH)]. Posteriormente, con el fin de analizar la hidroformilación asimétrica de estireno catalizada por complejos Rh-Binaphos, se han combinando estudios basados en la aproximación de la determinación del estado de transición y un análisis cualitativo a través de un descriptor molecular recién definido (volumen de distancia ponderada, VW). Usando nuestro conocimiento mecanicista anterior, hemos presentado un estudio QSPR para predecir la actividad y la enantioselectividad de la hidroformilación de estireno catalizada por complejos Rh-difosfinas. También, hemos desarrollado una nueva metodología 3D-QSSR para predecir la enantioselectividad basada en la cuantificación de la representación de diagramas por cuadrantes y aplicándola en el ciclopropanación asimétrica de alquenos catalizadas por complejos de cobre.
Catalysis is a field of science that explores solutions to environmental problems such as pollution, elimination of waste generated in the process of materials synthesis or regeneration of natural resources. In the present Thesis, we have reported a DFT study on the N-H σ-bond activation of ammonia by the µ3-alkylidyne titanium species using the [{Ti(η5-C5H5)(µ-O)}3(µ3-CH)] model complex. Afterwards, we have combined the TS-based approach and qualitative analysis through a newly defined molecular descriptor (distance-weighted volume, VW), in order to analyze the asymmetric hydroformylation of styrene catalyzed by Rh-binaphos complexes. Using our previous mechanistic knowledge, we have presented a QSPR study to predict the activity and the enantioselectivity in the hydroformylation of styrene catalyzed by Rh-diphosphane complexes. We have also developed a new methodology to predict enantioselectivity based on the quantitative quadrant-diagram representation of the catalysts and 3D-QSSR modeling; and we have applied it in the asymmetric cyclopropanation of alkenes catalyzed by copper complexes.
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Keeney, Brian A. "Do starburst winds escape? Insights from QSO absorption lines". Diss., Connect to online resource, 2006. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3239454.

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Lipman, Keith. "Chemical abundances of primeval galaxies from QSO absorption lines". Thesis, University of Cambridge, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.363292.

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Fara, Dan Cornel. "QSPR modeling of complexation and distribution of organic compounds /". Online version, 2004. http://dspace.utlib.ee/dspace/bitstream/10062/475/5/tammkaido.pdf.

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Fakhouri, Onsi Joe 1983. "Constraining the QSO luminosity function using gravitational lensing statistics". Thesis, Massachusetts Institute of Technology, 2004. http://hdl.handle.net/1721.1/32733.

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Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Physics; and, (S.B.)--Massachusetts Institute of Technology, Dept. of Mathematics, 2004.
Includes bibliographical references (leaves 85-87).
In this thesis we use gravitational lensing statistics to constrain the QSO luminosity function at a variety of redshifts. We present a theoretical discussion of gravitational lensing statistics and illustrate how high resolution QSO imagery can be used to constrain the QSO luminosity function. We then discuss the selection and observation of the 1073 QSO exposures in our sample. The sample covers a redshift range of 0.7by Onsi Joe Fakhouri.
S.B.
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Gharabaghi, Sara. "Quantitative Susceptibility Mapping (QSM) Reconstruction from MRI Phase Data". Wright State University / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=wright1610018553822445.

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22

Zuo, Lin Phinney E. Sterl. "QSO absorption lines and the ionizing field at high redshifts /". Diss., Pasadena, Calif. : California Institute of Technology, 1992. http://resolver.caltech.edu/CaltechETD:etd-09232008-081252.

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23

Menake, Wijerathne Wijerathne Mudiyanselage. "Classification of Irreducible Admissible mod-p Representations of GL_2(Q_p)". OpenSIUC, 2018. https://opensiuc.lib.siu.edu/theses/2455.

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Abstract (sommario):
In this thesis, we classify all irreducible admissible mod-p representations ofGL2(Qp)and divide those into 4 exhaustive disjoint categories. This classification was first pioneered by Barthel-Livne (1994-95), and completed by Breuil (2003). This thesis is mainly based on the lecture notes by Herzig (2015).
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24

Kulatá, Eliška. "Optimalizace procesu řízení projektů s uplatněním normy ISO 10006 QMP". Master's thesis, Vysoké učení technické v Brně. Fakulta podnikatelská, 2016. http://www.nusl.cz/ntk/nusl-241503.

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Abstract (sommario):
This diploma thesis focuses on the definition of process management, optimization of processes and methodologies of modeling processes. The practical part includes the optimization of system of management projects in selected IT companies due to compliance with standards to ISO 10006 and another standards of process.
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25

Cruz, da Angela José Antonio. "Clustering and redshift-space distortions in QSO and galaxy surveys". Thesis, Durham University, 2006. http://etheses.dur.ac.uk/2342/.

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Abstract (sommario):
In this thesis, we exploit the potential of existing QSO and galaxy surveys for investigating the nature of the large scale structure in the Universe. A detailed analysis of clustering and redshift- space distortions allows us to constrain cosmological parameters. We model the anisotropies due to dynamical and geometrical effects in the measured clustering pattern of distant QSOs from the 2dF QSO Survey (2QZ) and also Lyman break galaxies. The 2QZ is then combined with the QSO sample from the 2dF SDSS LRG and QSO Survey (2SLAQ) to study the luminosity dependence of QSO clustering. Using AT-body simulations, we estimate the statistical gains in the determination of cosmological parameters from future LRG surveys. We measure the clustering of distant QSOs from the 2QZ survey by performing a correlation analysis of redshift-space (z-space) distortions. To interpret the z-space correlation function measured in orthogonal directions, ع(σ,π), we require an accurate model for the QSO real-space correlation function, ع (r). Motivated by the form for ع (r) seen in the 2dF Galaxy Redshift Survey (2dFGRS) and in standard ACDM predictions, we use a double power-law model for ع (r). which gives a good fit to the z-space and projected correlation functions. By fitting functional forms of ع(σ,π) which include both dynamical and geometrical modelling, we find, as expected, that β (which parameterises the infall into overdense regions) and the density of the Universe (Ω(^0_M)) are degenerate. However, this degeneracy can be lifted by using linear theory predictions under different cosmological scenarios. Using the 2QZ survey, we obtain: βQAO (z=1.4) = 0.50 (^0.13_0.15), Ω(^0_M) = 0.35 (^+0.19_-0.13). The modelling of geometrical and dynamical anisotropies in the measured ع(σ,π) pattern is then applied to a sample of distant Lymari-break galaxies. The presence of feedback mechanisms in these z〜 3 star-forming galaxies heightens the importance of understanding the effects of z-space distortions. Despite the limited size of the fields, which hampers the determination of ع(r) at large scales, we find that a double-power law ع(s) parameterisation is consistent with the correlation function measurements. This double power law model is then used as an input for the ع(σ,π) fitting and subsequent constraining of cosmological parameters. This investigation reveals that: ßLBG (z= 3) = 0.25± (^+0.05_-0.05) and Ω(^0_M) = 0.55(^+0.45_-0.16). The combination of the 2QZ with the fainter 2SLAQ QSO sample reveals that QSO clustering does not depend strongly on luminosity. This result is consistent with models which predict that haloes of similar mass can harbour QSOs of different luminosities. By assuming ellipsoidal models for the collapse of density perturbations, we test this hypothesis and estimate the mass of the dark matter haloes which the QSOs inhabit. We find that halo mass does not seem to evolve strongly with redshift nor depend on QSO luminosity. Having determined the black hole mass associated with the QSOs, we investigate how it correlates with luminosity and redshift and ascertain the relation between Eddington efficiency and black hole mass. Our results suggest that: (i) black hole mass does not depend strongly on accretion efficiency and (іі) black holes associated with QSOs of different luminosities have similar masses. Finally, the Hubble Volume simulation is used to construct a mock sample of a future ΑΑΩ Luminous Red Galaxy (LRG) survey. The ultimate aims of this survey are to identify the baryon acoustic features in the LRG clustering signal and to determine the equation of state of dark energy. We apply the z-space distortion analysis developed previously in the thesis to infer the statistical gain in terms of determinations of ß(_LRG) (z~ 0.7) and Ω(+0_m) .This thesis exploits the wealth of information contained in cosmological surveys, and demonstrates how the use of tools such as clustering statistics or z-space distortion analyses permit the extraction of such information.
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26

Newman, Janson. "QS Ranking Methodologies". Universidad Peruana de Ciencias Aplicadas (UPC), 2018. http://hdl.handle.net/10757/623345.

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Conferencia realizado el 19 de Abril de 2018 en las instslaciones de la Universidad Peruana de Ciencias Aplicadas (UPC), campus San Isidro. Lima Perú. Evento auspiciado por Universidad y FIPES.
Conferencia acerca de la importancia de los rankings universitarios: caso QS World University Rankings.
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27

Alisaraie, Laleh. "Improvement of a molecular docking approach and its applications using QXP+". [S.l.] : [s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=985169141.

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28

Londish, Diana. "Properties of BL Lac objects from the 2dF QSO Redshift Survey". University of Sydney. Physics, 2003. http://hdl.handle.net/2123/600.

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Abstract (sommario):
This thesis is an analysis of the X-ray, optical, infrared and radio properties of a sample of candidate BL Lac objects, identified from two catalogues of colour-selected point sources, the 2QZ and 6QZ. The importance of the sample lies in the fact that it is the first BL Lac sample in which initial selection has been made from optical spectra, independent of the objects' flux levels at X-ray and radio frequencies. These optically selected candidate BL Lac objects thus provide an unbiased sample (in terms of radio flux density) with which to study the proportion of radio- dominant and X-ray-dominant BL Lac objects in the global population. The observed number counts and redshift distribution of the 2BL are consistent with theoretical predictions based on the QSO evolutionary model. Given the small number statistics we are not, however, able to show that this distribution is significantly different to that of the 2QZ/6QZ white dwarfs. A median redshift of z=1.25 was computed for these candidate BL Lacs, a value supported by redshift information obtained for ~25% of the sample. This median redshift is much higher than redshifts found for X-ray selected BL Lac objects and suggests that in the past high redshift, low luminosity, radio-weak BL Lacs may have been missed in radio- and X-ray-selected samples. From results of the above studies it appears that this sample of optically selected candidate BL Lac objects is different to that of hitherto known radio-loud BL Lacs. We explore mechanisms that might produce such radio-weak/radio-quiet continuum objects, and also demonstrate that such radio-quiet BL Lac objects could exist at low redshift. Failure to include these radio-quiet BL Lacs in X-ray selected samples could explain the negative evolution found for this class of object.
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29

Vijay, Vikrant. "Assessment of Cutaneous Permeability of Biocides in Mixtures using QSPR Approach". NCSU, 2009. http://www.lib.ncsu.edu/theses/available/etd-06292009-233331/.

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The purpose of this research work was to assess the dermal permeation of biocides in metalworking fluids (MWFs) to develop predictive QSAR models and to develop an appropriate training set of chemicals to enhance the predictive ability of QSAR models for dermal permeation. Estimation of the amount of chemicals absorbed through skin plays a vital role in dermal risk assessment. Approximately 1.2 million US workers are occupationally exposed to MWFs annually. Different components of MWFs especially biocides, contribute to adverse health effects including irritant and allergic contact dermatitis as well as carcinogenesis. These adverse effects may be positively correlated to their dermal absorption and may cause systemic toxicity if absorbed in significant amount in workers involved in metalworking operations. A lack of scientific data exists regarding the dermal permeation of MWF components, particularly biocides. Therefore, the first two studies were conducted to (1) determine the dermal permeation of biocides and other chemicals (used as training set to develop Linear Solvation Energy Relationship (LSER) models) in commercial and generic MWFs; and (2) develop a LSER model for predicting dermal permeation of other biocides, not used in these studies. Dermal permeation was evaluated in dermatomed porcine skin by utilizing a flow through diffusion cell system. Chemical analysis was performed by employing gas chromatography with a solid phase micro-extraction technique and ultra performance liquid chromatography with a solid phase extraction technique. LSER models, which are a subset of quantitative structure activity relationship models, were constructed by multiple linear regression analysis with permeability coefficient as the response variable and solvatochromic descriptors as the predictor variables. The LSER model is useful to quantitatively measure the difference in interaction between the two phases (skin and vehicle) as well as a predictive tool. Since the training set used to develop a LSER model was not optimally diverse in terms of structure and chemical space, the third study focused on developing a training set of chemicals representing a wider chemical space (in terms of descriptor values) using a best possible chemical selection method. The results from the first two studies demonstrated that (1) the dermal permeation of biocides as well as other chemicals was highest in aqueous solution followed by synthetic, semi-synthetic and soluble oil type of MWFs; (2) addition of water to MWFs for dilution increased dermal permeation; (3) the LSER model adequately predicted the dermal permeability of biocides in MWFs and also shed light on the chemical interactions resulting in reduced permeability. An optimal and less subjective method (uniform coverage design) to select chemicals representing a wider chemical space was identified in the third study. The LSER model based on the new selected training set of chemicals performed statistically better over the LSER model based on the training set used in the previous study. In summary, the aforementioned results demonstrated that there is a difference in the absorption profile of chemicals among the type of MWFs and dilution of MWFs with water increases the dermal permeation of chemicals; the LSER model can be useful to explain the change in vehicle solvatochromic properties upon addition of water as well as can be an effective prediction model for dermal permeation of chemicals in mixtures; finally, a structurally diverse training set of chemicals representing a wider chemical space is required to improve the predictive capability of a model. All of these results will augment the dermal risk assessment of the chemicals in mixtures and contribute to the improvement of computational predictive models.
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30

Murugesan, Saravanan. "Quantitative sensory testing (QST) to establish normative vibratory and thermal thresholds". Thesis, University of Strathclyde, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.502346.

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Abstract (sommario):
Quantitative Sensory Testing (QST) is emerging as a potential adjunct to the neurological examination in the evaluation of sensory dysfunction after Spinal Cord injury (SCI). In both clinical and research areas, the QST technique is used as an aid in early diagnosis, follow-up, and evaluations of therapy in SCI patients. QST's are psychophysical in nature, requiring cooperation from the patient. A normative database from healthy controls helps to establish neurological disorders or changes in sensory dysfunction during the SCI treatment. A deviation from the normal range can indicate the existence of neurological disorders in Spinal cord. The main objective of this study was to establish a normative database to evaluate the sensory dysfunction after SCI and to evaluate the reliability of the QST methodology.
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31

Oprisiu, Ioana. "Modélisation QSPR de mélanges binaires non-additifs : application au comportement azéotropique". Phd thesis, Université de Strasbourg, 2012. http://tel.archives-ouvertes.fr/tel-00862598.

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Abstract (sommario):
Généralement les modèles QSPR ne sont utilisés que pour prédire des propriétés des corps purs. Dans cette thèse nous avons développé une approche QSPR permettant de prédire des propriétés non additives de mélanges binaires, plus précisément leur caractère azéotropique/zéotropique. Pour parvenir à ce résultat, plusieurs types de modèles quantitatifs et qualitatifs ont été développés. L'approche est originale pour deux raisons. Premièrement, peu de travaux de recherche ont été publiés sur des mélanges dont les propriétés sont non-additives. Deuxièmement, plusieurs nouveaux aspects méthodologiques ont été introduits dans ce travail. Tout d'abord des descripteurs "spéciaux", capables de décrire des mélanges ont été proposés. De plus, un protocole robuste d'obtention et de validation des modèles a été utilisé, et un domaine d'applicabilité des modèles fiable a été proposé. La méthodologie développée pendant cette thèse démontre la fiabilité d'un nouveau concept - les modèles QSPR pour les mélanges. Elle est comparable à d'autres méthodes classiques, quoique n'utilisant qu'un faible nombre de données en comparaison.
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32

Wang, Jia-Chang. "The application of texture discrimination to SMT QFP solder joint inspection". Thesis, University of Liverpool, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.367813.

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33

Rose, Daniel [Verfasser]. "An elastic primal active-set method for structured QPs / Daniel Rose". Hannover : Technische Informationsbibliothek (TIB), 2018. http://d-nb.info/1169697267/34.

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34

Burles, Scott. "Measurements of the deuterium to hydrogen ratio in QSO absorption systems /". Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC IP addresses, 1997. http://wwwlib.umi.com/cr/ucsd/fullcit?p9808982.

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35

Fisher, Michael Lynn. "Theoretical studies of QSO absorption lines and the inter- galactic medium /". The Ohio State University, 1990. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487682558445736.

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36

Yi, Weimin, Richard Green, Jin-Ming Bai, Tinggui Wang, Catherine J. Grier, Jonathan R. Trump, William N. Brandt et al. "The Physical Constraints on a New LoBAL QSO at z = 4.82". IOP PUBLISHING LTD, 2017. http://hdl.handle.net/10150/623841.

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Abstract (sommario):
Very few low-ionization broad absorption line (LoBAL) QSOs have been found at high redshifts, to date. One high-redshift LoBAL QSO, J0122+1216, was recently discovered by the Lijiang 2.4 m Telescope, with an initial redshift determination of 4.76. Aiming to investigate its physical properties, we carried out follow-up observations in the optical and near-IR spectroscopy. Near-IR spectra from UKIRT and P200 confirm that it is a LoBAL, with a new redshift determination of 4.82 +/- 0.01 based on the Mg II emission-line. The new Mg II redshift determination reveals strong blueshifts and asymmetry of the high-ionization emission lines. We estimate a black hole mass of similar to 2.3 x 10(9) M-circle dot and Eddington ratio of similar to 1.0 according to the empirical Mg II-based single-epoch relation and bolometric correction factor. It is possible that strong outflows are the result of an extreme quasar environment driven by the high Eddington ratio. A lower limit on the outflowing kinetic power (>0.9% L-Edd) is derived from both emission and absorption lines, indicating that these outflows play a significant role in the feedback process that regulates the growth of its black hole, as well as host galaxy evolution.
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37

Fischer, Helge, e Nicole Rose. "Das Projekt Q2P - Zentrale Unterstützungsangebote für den Medieneinsatz in der akademischen Weiterbildung". Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2012. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-101092.

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1 Ausgangspunkt und Zielstellungen des Projektes Q2P Von 2008 bis 2013 stellt das sächsische Staatsministerium für Wissenschaft und Kunst ein Budget von 27 Mio. Euro für die „Entwicklung von Konzepten, Auf- und Ausbau von Strukturen und Netzwerken postgradualer Bildung, insbesondere unter Nutzung neuer Medien“ ([1] S.6) aus den Mitteln des Europäischen Sozialfonds (ESF) zur Verfügung. Damit sollen digitale Medien zum immanenten Bestandteil von akademischen Weiterbildungsangeboten in Sachsen werden. Gegenwärtig laufen 14 Weiterbildungsprojekte in diesem Vorhabenbereich. Sechs weitere Projekte haben ihre Förderdauer bereits überschritten (Stand: August 2012). Die entwickelten Weiterbildungsangebote unterscheiden sich hinsichtlich Struktur und Methoden und reichen von einzelnen Onlinemodulen bis hin zu Masterstudiengängen. Innerhalb der laufenden und abgelaufenen Projekte (n=20) wurden in vier Projekten weiterbildende Masterstudiengänge entwickelt, in elf Projekten Weiterbildungskurse und in 5 Projekten digitale Bildungsmodule (Lernsoftware). Hinsichtlich der Bildungsinhalte wird ein breites Themenspektrum bearbeitet, von wirtschaftlichen über naturwissenschaftliche bis hin zu technischen Fragestellungen.
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38

Marble, Andrew R. "QSO Pairs and the Lyman-alpha Forest: Observations, Simulations, and Cosmological Implications". Diss., The University of Arizona, 2007. http://hdl.handle.net/10150/193945.

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This dissertation addresses two cosmological applications of the Lyman-alpha (Ly ɑ) forest observed in QSO pairs separated by several arcminutes or less. The Ly ɑ flux autocorrelation and cross-correlation provide a measurement of cosmic geometry at z > 2, via a variant of the Alcock-Paczyński test. I present the results of an observing campaign to obtain moderate resolution spectroscopy of the Ly ɑ forest in QSO pairs with small redshift differences (Δz < 0.25) and arcminute separations (θ < 5'). This new sample includes 29 pairs and one triplet suitable for measuring the cross-correlation and 78 individual QSO spectra for determining the autocorrelation. Continuum fits are provided, as are seven revisions for previously published QSO identifications and/or redshifts. Using a suite of hydrodynamic simulations, anisotropies in the Ly ɑ flux correlation function due to redshift-space distortions and spectral smoothing are investigated for 1:8 ≤ z ≤ 3, further enabling future applications of the Alcock-Paczyński test with Ly ɑ correlation measurements. Sources of systematic error including limitations in mass-resolution and simulation volume, prescriptions for galactic outflow, and the observationally uncertain mean flux decrement are considered. The latter is found to be dominant. An approximate solution for obtaining the zero-lag cross-correlation for arbitrary spectral resolution is presented, as is a method for implementing the resulting anisotropy corrections while mitigating systematic uncertainty.
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39

Nguyen, Hoang Nghia. "Survivable mesh-network design & optimization to support multiple QoP service classes /". Connect to thesis (via ADT), 2009. http://adt.ecu.edu.au/adt-public/adt-ECU2010.0003.html.

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40

Matejek, Michael Scott. "Probing the early universe with the epoch of reionization and QSO spectroscopy". Thesis, Massachusetts Institute of Technology, 2012. http://hdl.handle.net/1721.1/79521.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Physics, 2012.
Cataloged from PDF version of thesis.
Includes bibliographical references (p. 185-198).
We present results from the first systematic survey for Mg ii absorption lines at z > 2.5. Using 46 infrared QSO spectra we discovered 111 Mg II systems, including five with z > 5- the most distant systems now known. The comoving line density for weaker systems is statistically consistent with no evolution from z = 0.4 to z = 5.5. The density for stronger systems increases three-fold until z ~ 3 before declining towards higher redshifts, suggesting a connection to star formation. The weaker systems' lack of evolution does not fit within this interpretation, but may be reproduced by extrapolating low redshift scaling relations between host galaxy luminosity and absorbing halo radius to earlier epochs. Using new measurements from optical spectra of the same targets and low redshift control samples we study evolutionary trends in the chemical composition of Mg ii systems from z = 0 --> 5.33. We observe a significant strengthening in the characteristic N(H I) for fixed Mg 11 strength as one moves toward higher redshift. We set lower limits on the metallicity where we can measure H 1, and find that systems with W₀ [delta]2796 = 0.3 - i.OA are quite metal rich at ~ 0.1 Solar. We speculate that if weaker Mg ii systems represent accreting gas, then their high metal abundance suggests re-accretion of recently ejected material rather than first-time infall from the metal-poor IGM, even at early times. We present a new technique for simultaneously fitting bright point sources in ungridded visibility data called the side lobe matrix technique. We provide computational speedups which allow for real time implementation. We derive analytic approximations for the error distributions of fit intensities in the presence of thermal noise, imperfect calibration, and ionospheric errors. We find that the intensity errors of the brightest sources with imperfect calibration and ionospheric errors are dominated by 'self errors' that exist independent of side-lobe contamination. We demonstrate that to lowest order, the dynamic range obtained with calibration/ionospheric errors is the same as when the source intensities are perfectly known.
by Michael Scott Matejek.
Ph.D.
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41

Pan, Hongchao. "X-ray observations of SS 433 and the QSO MR 2251-178". Thesis, University of Leicester, 1989. http://hdl.handle.net/2381/35754.

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This thesis reports the results of the X-ray observations of the galactic binary source SS 433 and the QSO MR 2251-178 made with the EXOSAT and GINGA X-ray satellites. The EXOSAT and GINGA study of SS 433 shows that both the X-ray intensity and spectrum of the binary vary over the periods of the 163 day jet precession and the 13 day binary motion. The X-ray luminosity of SS 433 is high at the phase corresponding to the maximum separation of the Doppler-shifted optical lines, and low when the jets become edge-on. An intensity decrease of up to 50% can be seen in each energy channel while the source changes from high to low luminosity. Over the 13 day binary cycle, the X-ray source is eclipsed by the companion star at the phase of the primary optical minimum. Five such events were observed by the EXOSAT and GINGA satellites at different phases of jet precession. The X-ray spectrum of SS 433 consists of a thermal continuum and a Doppler energy shifted broad emission line. It is proved, in this thesis, that the X-ray emission of SS 433 originates in the jets and is thermal in nature. The X-ray sources of SS 433 are stable and its properties are strongly modulated by the relativistic motion of the X-ray emitting material in the jets, the jet precession and the binary motion. With the constraints from the X-ray observations, a general picture of the X-ray jets of SS 433 is established in this thesis. The X-ray jets are a continuous super-sonic plasma flow and are generated inside the funnels of a thick accretion disc located around a black hole. Variable X-ray absorption and soft X-ray excess are found in the X-ray spectrum of MR 2251-178 with the EXOSAT observations. While there is an overall correlation between the ME(2-10 keV) and LE(0.1-2 keV) fluxes the pattern of variability can not be described by simple intensity, absorption or slope variations. It is shown, in this thesis, that it is possible to explain all the observed features by adopting the 'warm' absorber model in which the absorbing material is partially ionized by the flux of extreme ultra-violet and X-ray photons from the central continuum source. The preferred location of the absorbing material is close to the central continuum source. The recent evidence for 'cool' material in the centre of Seyfert galaxies is thus extended to include an object of significantly higher luminosity.
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42

Fayet, Guillaume. "Développement de modèles QSPR pour la prédiction des propriétés d'explosibilité des composés nitroaromatiques". Phd thesis, Paris 6, 2010. http://pastel.archives-ouvertes.fr/pastel-00006157.

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L'objectif de ces travaux était de développer et d'évaluer des modèles quantitatifs structure-propriété (QSPR) pour la prédiction des propriétés explosives des composés nitroaromatiques, en vue d'une utilisation dans un cadre règlementaire, en particulier celui du nouveau règlement européen REACH. Différentes approches méthodologiques (régressions multi-linéaires, PCA, PLS, arbres de décision) ont été utilisées pour mettre en place des modèles pour la prédiction de la chaleur de décomposition. Les descripteurs des modèles ont été sélectionnés dans un jeu étendu de plus de 300 descripteurs (constitutionnels, topologiques, géométriques et quantiques). Deux premiers modèles avec des domaines d'applicabilité définis et des pouvoirs prédictifs importants ont été obtenus. Des modèles pour trois autres propriétés explosives (la température de décomposition, les sensibilités à la décharge électrique et à l'impact) ont ensuite été développés, avec des performances similaires voire supérieures aux modèles existants. Enfin, l'analyse des mécanismes réactionnels sous-jacents, menée à l'aide de la DFT, a permis de mettre en évidence la présence de chemins de décomposition spécifiques au sein des composés nitroaromatiques et a ainsi complété l'approche QSPR en termes d'interprétation phénoménologique. Cette étude a donc pris en compte l'intégralité des principes mis en place par l'OCDE pour la validation des modèles QSAR/QSPR dans un usage règlementaire (cible expérimentale, structure du modèle, validation, domaine d'applicabilité et interprétation des mécanismes sous-jacents). Deux modèles prédictifs ont même été développés pour la chaleur de décomposition des composés nitroaromatiques.
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43

Fiscone, Cristiana. "A machine learning approach to QSM: quantitative susceptibility map reconstruction with convolutional autoencoders". Master's thesis, Alma Mater Studiorum - Università di Bologna, 2019. http://amslaurea.unibo.it/18047/.

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Abstract (sommario):
QSM (Quantitative Susceptibility Mapping) è un’ applicazione MRI, in grado di riprodurre, partendo da dati di fase di sequenze gradient echo, distribuzioni di suscettività magnetica dei tessuti. Con questa tecnica è possibile, ad esempio, caratterizzare e trattare malattie vascolari e neurodegenerative.  Per ottenere la mappa di suscettività, deve essere risolto un problema mal posto, dovuto alla presenza di singolarità all'interno dello spazio di Fourier. Sono state già implementate diverse tecniche per superare questa difficoltà, divise in: single-orientation methods (e.g. TKD) e multiple-orientation methods (e.g. COSMOS). I primi garantiscono una veloce ricostruzione, anche se molto rumorosa; i secondi invece richiedono lunghi tempi d’acquisizione, ma forniscono risultati accurati. Bisogna trovare un compromesso tra accuratezza e velocità per poter applicare QSM all'ambito clinico. Una soluzione potrebbe essere un metodo che sfrutti tecniche di deep learning; per questo, abbiamo costruito una rete neurale con una struttura di fully convolutional autoencoder. La rete è stata addestrata tramite apprendimento supervisionato, utilizzando dati di fase come input, dati di suscettività ottenuti da COSMOS come labels e dati di suscettività ottenuti da TKD come controllo.  Dalle immagini dell’encefalo contenute nel database della QSM2016 Challenge, dati 2D e 3D sono stati estratti e processati. La distribuzione ottenuta con il nostro modello è stata confrontata con quella di COSMOS, considerata come gold-standard per la precisione nella ricostruzione: valutando intensità e contrasto in alcune regioni, sono emersi risultati tra loro consistenti. Le perfomance del network sono migliori di quelle di TKD. Il risultato ottenuto è perciò soddisfacente: tramite machine learning, single-orientation method, è possibile quindi costruire velocemente una mappa di suscettività magnetica accurata tanto quanto quella risultante da approcci a multiple-orientation.
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44

Steinberg, Aman [Verfasser]. "Photon production and screening properties of the QGP from lattice QCD / Aman Steinberg". Mainz : Universitätsbibliothek der Johannes Gutenberg-Universität Mainz, 2021. http://d-nb.info/1229085394/34.

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45

Peng, Xiaoling. "Methods of variable selection and their applications in quantitative structure-property relationship (QSPR)". HKBU Institutional Repository, 2005. http://repository.hkbu.edu.hk/etd_ra/594.

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46

Siana, Brian D. "Optical-infrared selection of high redshift QSOs and the z = 3 QSO luminosity function /". Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC IP addresses, 2005. http://wwwlib.umi.com/cr/ucsd/fullcit?p3205374.

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47

Plass, Monika. "The influence of conformational and associative effects on the QSPR descriptors of oligopeptide derivatives". [S.l. : s.n.], 2000. http://deposit.ddb.de/cgi-bin/dokserv?idn=96170795X.

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48

Wang, Kunrong. "High-Frequency Quasi-Single-Stage (QSS) Isolated AC-DC and DC-AC Power Conversion". Diss., Virginia Tech, 1998. http://hdl.handle.net/10919/29394.

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Abstract (sommario):
The generic concept of quasi-single-stage (QSS) power conversion topology for ac-dc rectification and dc-ac inversion is proposed. The topology is reached by direct cascading and synchronized switching of two variety of buck or two variety of boost switching networks. The family of QSS power converters feature single-stage power processing without a dc-link low-pass filter, a unidirectional pulsating dc-link voltage, soft-switching capability with minimal extra commutation circuitry, simple PWM control, and high efficiency and reliability. A new soft-switched single-phase QSS bi-directional inverter/rectifier (charger) topology is derived based on the QSS power conversion concept. A simple active voltage clamp branch is used to clamp the otherwise high transient voltage on the current-fed ac side, and at the same time, to achieve zero-voltage-switching (ZVS) for the switches in the output side bridge. Seamless four-quadrant operation in the inverter mode, and rectifier operation with unity power factor in the charger (rectifier) mode are realized with the proposed uni-polar center-aligned PWM scheme. Single-stage power conversion, standard half-bridge connection of devices, soft-switching for all the power devices, low conduction loss, simple center-aligned PWM control, and high reliability and efficiency are among its salient features. Experimental results on a 3 kVA bi-directional inverter/rectifier prototype validate the reliable operation of the circuit. Other single-phase and three-phase QSS bi-directional inverters/rectifiers can be easily derived as topological extensions of the basic QSS bi-directional inverter/rectifier. A new QSS isolated three-phase zero-voltage/zero-current-switching (ZVZCS) buck PWM rectifier for high-power off-line applications is also proposed. It consists of a three-phase buck bridge switching under zero current and a phase-shift-controlled full-bridge with ZVZCS, while no intermediate dc-link is involved. Input power and displacement factor control, input current shaping, tight output voltage regulation, high-frequency transformer isolation, and soft-switching for all the power devices are realized in a unified single stage. Because of ZVZCS and single-stage power conversion, it can operate at high switching frequency while maintaining reliable operation and achieving higher efficiency than standard two-stage approaches. A family of isolated ZVZCS buck rectifiers are obtained by incorporating various ZVZCS schemes for full-bridge dc-dc converters into the basic QSS isolated buck rectifier topology. Experimental and simulation results substantiate the reliable operation and high efficiency of selected topologies. The concept of charge control (or instantaneous average current control) of three-phase buck PWM rectifiers is introduced. It controls precisely the average input phase currents to track the input phase voltages by sensing and integrating only the dc rail current, realizes six-step PWM, and features simple implementation, fast dynamic response, excellent noise immunity, and is easy to realize with analog circuitry or to integrate. One particular merit of the scheme is its capability to correct any duty-cycle distortion incurred on only one of the two active duty-cycles which often happens in the soft-switched buck rectifiers, another merit is the smooth transition of the input currents between the 60o sectors. Simulation and preliminary experimental results show that smooth operations and high quality sinusoidal input currents in the full line cycle are achieved with the control scheme.
Ph. D.
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49

Cung, Quang Hong. "THE EVACUATION PROBLEM IN MULTI-STORY BUILDINGS". 2019. https://scholarworks.umass.edu/masters_theses_2/737.

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The pressure from high population density leads to the creation of high-rise structures within urban areas. Consequently, the design of facilities which confront the challenges of emergency evacuation from high-rise buildings become a complex concern. This paper proposes an embedded program which combines a deterministic (GMAFLAD) and stochastic model (M/G/C/C State Dependent Queueing model) into one program, GMAF_MGCC, to solve an evacuation problem. An evacuation problem belongs to Quadratic Assignment Problem (QAP) class which will be formulated as a Quadratic Set Packing model (QSP) including the random flow out of the building and the random pairwise traffic flow among activities. The procedure starts with solving the QSP model to find all potential optimal layouts for the problem. Then, the stochastic model calculates an evacuation time of each solution which is the primary decision variable to figure the best design for the building. Here we also discuss relevant topics to the new program including the computational accuracy and the correlation between a successful rate of solving and problems’ scale. This thesis examines the relationship of independent variables including arrival rate, population and a number of stories with the dependent variable, evacuation time. Finally, the study also analyzes the probability distribution of an evacuation time for a wide range of problem scale.
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50

Monga, Ravi Ratan Raj. "Topology Network Optimization of Facility Planning and Design Problems". 2019. https://scholarworks.umass.edu/masters_theses_2/846.

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The research attempts to provide a graphical theory-based approach to solve the facility layout problem. Which has generally been approached using Quadratic Assignment Problem (QAP) in the past, an algebraic method. It is a very complex problem and is part of the NP-Hard optimization class, because of the nonlinear quadratic objective function and (0,1) binary variables. The research is divided into three phases which together provide an optimal facility layout, block plan solution consisting of MHS (material handling solution) projected onto the block plan. In phase one, we solve for the position of departments in a facility based on flow and utility factor (weight for location). The position of all the departments is identified on the vertices of MPG (maximal planar graph), which maximizes the possibility of flow. We use named MPG produced in literature, throughout the research. The grouping of the department is achieved through GMAFLAD, a QSP (quadratic set packing) based optimizer. In Phase 2, the dual for the MPG’s is solved consisting of department location as per phase 1, to generate Voronoi graphs. These graphs are then, expanded by an ingenious parameter optimization formulation to achieve area fitting for individual cases. Optimization modeling software, Lingo17.0 is used for solving the parameter optimization for generating coordinates of the block plan. The plotting of coordinates for the block plan graphics is done via Autodesk inventor 2019. In phase 3, the solution for MHS is achieved using an RSMT (Rectilinear Steiner minimal tree) graph approach. The Voronoi seed coordinates produced through phase 2 results are computed by GeoSteiner package to generated the RSMT graph for projection onto the block plan (Also, done by Inventor 2019). The graphical method employed in this research, itself has complex and NP-hard problem segments in it, which have been relaxed to polynomial time complexity by fragmenting into groups and solving them in sections. Solving for MPG & RSMT are a class of NP-Hard problem, which have been restricted to N=32 here. Finally, to validate the research and its methodology a real-life case study of a shipyard building for the data set of PDVSA, Venezuela is performed and verified.
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