The marriage of two very powerful techniques - cryogenic matrix isolation spectroscopy and seeded supersonic molecular beams - has led to the development of a novel type of cryogenic matrix isolation spectroscopy in ultracold, near 0 K, He droplets. The technique known as helium nanodroplet isolation (HENDI) has seen tremendeous experimental interest over the past 20 years; this in turn has resulted in the availability of spectroscopic data for many molecules and clusters embedded in He clusters. The experimental findings havemotivated a large number of theoretical calculations. This dissertation focuses on theoretical and computational studies of the rotational dynamics of weakly bound van der Waals clusters with its main theme being the dynamics of molecules and small molecular dimers embedded in superfluid He-4 nanodroplets. The single molecular dopant systems studied were clusters of HCN-(He)N, HX-(He)N, where X = F, Cl, Br as well as NH3-(He)N, with N = 1 - 20. Ground and excited state calculations were performed using the rigid body diffusion Monte Carlo (RBDMC) algorithm. For the excited state calculations a new approach was developed: adiabatic-node DMC (ANDMC). The ANDMC method was used to study the renormalization of molecular rotational constants in He droplets. It revealed that the dynamics depend on a delicate interplay between the gas phase rotational constant value and the anisotropies in the potential energy interaction between the He atom and the dopant. Also presented are the results of the first DMC simulations of the ammonia dimer doped into a small droplet of He-4. Further, a new approach to finding nodal surfaces for DMC simulations was developed that involved using a genetic algorithm (GA). This method was implemented to systematically and automatically compute nodal surfaces of excited states of the HCN-He complex and of the interchange tunneling splitting in the hydrogen-bonded HCl-HCl complex. The classical rotational dynamics of HX-He complexes with X = F, Cl, Br, CN were studied to gain insight into quantum simulations and revealed highly chaotic dynamics for states with J > 0. Fractal Weyl law behavior in an open, chaotic Hamiltonian system is the subject of the final chapter.

Models of chemical bonding are essential for contemporary chemistry. Even the explosive development of the computational resources including, both hardware and software, cannot eliminate necessity of compact, intuitive, and efficient methods of representing chemically relevant information. The Lewis model of chemical bonding, which was proposed eleven years before the formulation of quantum theory and preserves its pivotal role in chemical education and research for more than ninety years, is a vivid example of such a tool. As chemistry shifts to the nanoscale, it is becoming obvious that a certain shift of the paradigms of chemical bonding is inescapable. For example, none of the currently available models of chemical bonding can correctly predict structures and properties of sub-nano and nanoclusters. Clusters of main-group elements and transition metals are of major interest for nanotechnology with potential applications including catalysis, hydrogen storage, molecular conductors, drug development, nanodevices, etc. Thus, the goals of this dissertation were three-fold. Firstly, the dissertation introduces a novel approach to the description of chemical bonding and the algorithm of the software performing analysis of chemical bonding, which is called Adaptive Natural Density Partitioning. Secondly, the dissertation presents a series of studies of main-group element and transition-metal clusters in molecular beams, including obtaining their photoelectron spectra, establishing their structures, analyzing chemical bonding, and developing generalized model of chemical bonding. Thirdly, the dissertation clarifies and develops certain methodological aspects of the quantum chemical computations dealing with clusters. This includes appraisal of the performance of several computational methods based on the Density Functional Theory and the development of global optimization software based on the Particle Swarm Optimization algorithm.

abstract: Learning how properties of galaxies such as star formation, galaxy interactions, chemical composition, and others evolve to produce the modern universe has long been a goal of extragalactic astronomy. In recent years, grism spectroscopy from the Hubble Space Telescope (HST) has provided a means to study these properties with spectroscopy while avoiding the limitations of ground-based observation. In this dissertation, I present several studies wherein I used HST G102 grism spectroscopy from the Faint Infrared Grism Survey (FIGS) to investigate these fundamental properties of galaxies and how they interact and evolve. In the first study, I combined the grism spectra with broadband photometry to produce a catalog of redshifts with improved accuracy, reducing the median redshift error from 3\% to 2\%. With this redshift catalog, I conducted a systematic search for galaxy overdensities in the FIGS fields, producing a list of 24 significant candidates. In the second study, I developed a method for identifying emission line galaxy (ELG) candidates from continuum-subtracted 1D spectra, and identified 71 ELGs in one FIGS field. In matching MUSE/VLT spectra, I measured the [OIII]$\lambda$4363 emission line for 14 FIGS ELGs, and used this to measure their $T_e$-based gas-phase metallicities. These ELGs show a low-metallicity offset on the Mass-Metallicity Relation, and I demonstrated that this offset can be explained by recent star formation. In the third study, I expanded the ELG search to all four FIGS fields, identifying 208 H$\alpha$, [OIII]$\lambda\lambda$4959,5007, and [OII]$\lambda\lambda$3727,3729 line emitters. I compiled a catalog of line fluxes, redshifts, and equivalent widths. I combined this catalog with the overdensity study to investigate a possible relationship between line luminosity, star formation, and an ELG's environment. In the fourth study, I usde 15 FIGS H$\alpha$ emitters and 49 ``green pea'' line emitters to compare H$\alpha$ and the far-UV continuum as tracers of star formation. I explored a correlation between the H$\alpha$-FUV ratio and the ratio of [OIII]$\lambda\lambda$4959,5007 to [OII]$\lambda\lambda$3727,3729 and its implications for star formation history. / Dissertation/Thesis / Doctoral Dissertation Astrophysics 2019

El Modelo Empresarial Clúster propuesto, es una alternativa para generar más riqueza que sus competidores en los mercados mundiales. Por otra parte un clúster es la concentración geográfica de grupos de empresas que se apoyan mutuamente mediante relaciones verticales (clientes, tecnología y canales de distribución), desarrollando competencias y consolidándose ante los clientes. De ambos conceptos se deducen que los clústeres generan competitividad siendo ésta una necesidad para el desarrollo del país. Asimismo, por el lado de las exportaciones el panorama del sector textil se puede conocer en base a las cifras de Aduanas ya que desde el 2005 la exportación del sector textil y confecciones era de 41 mil toneladas y al 2012 ha bajado a 38 mil toneladas. El presente trabajo tiene como objetivo realizar un análisis estratégico de la situación actual de las MYPES textiles del sector confecciones, y poder plantear alternativas de alianzas estratégicas que permitan a las MYPES textiles del sector de las confecciones de Gamarra, ser más competitivas en el ámbito nacional e internacional. Finalmente la investigación constituye un cambio de actitud empresarial en insertarse en la nueva economía del conocimiento. Un aporte trascendental para las MYPES de Gamarra del Sector de Confecciones para la Exportación asociadas como un Clúster, alternativa que de acuerdo a la muestra tomada en la parte estadística del presente trabajo, las MYPES estarían interesadas en practicarla para enfrentar retos más exigentes en un mercado globalizado y competitivo, contribuyendo al desarrollo y crecimiento económico del país por la generación de nuevos puestos de trabajo. / Tesis

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Charles University Faculty of Pharmacy in Hradec Králové Department: Department of Pharmaceutical chemistry and Pharmaceutical analysis Candidate: Jana Marvalová Supervisor: doc. PharmDr. Radim Kučera, PhD. Title of Thesis: The employment of HPLC in field of chiral separations VI. Boron clusters are synthetically prepared substances that are being intensively studied in connection with Boron Neutron Capture Therapy, the substitution of phenyl rings of molecules of already known drugs and as potential inhibitors of HIV protease. Boron clusters are symmetric molecules, however, by endo- or exo-skeletal substitution, the symmetry of the cluster is disrupted and enantiomers are formed. This diploma thesis is focused on the investigation of chromatographic conditions for chiral separations of cosanes (bis(dicarbollides) and 7,8-dicarb-nido-undecaborates derivatives using high performance liquid chromatography and chiral selectors based on cellulose and amylose in reverse-phase liquid chromatography. For this purpose, columns Lux Cellulose-1 and Lux Amylose-1 were selected with chiral selectors cellulose tris(3,5-dimethylphenylcarbamate) and amylose tris(3,5-dimethylphenylcarbamate), respectively. The mobile phases were mixtures of methanol or acetonitrile with sodium perchlorate or sodium chloride...

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