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Sökning: WFRF:(Segarra P)

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  • Clark, Andrew G., et al. (författare)
  • Evolution of genes and genomes on the Drosophila phylogeny
  • 2007
  • Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 450:7167, s. 203-218
  • Tidskriftsartikel (refereegranskat)abstract
    • Comparative analysis of multiple genomes in a phylogenetic framework dramatically improves the precision and sensitivity of evolutionary inference, producing more robust results than single-genome analyses can provide. The genomes of 12 Drosophila species, ten of which are presented here for the first time (sechellia, simulans, yakuba, erecta, ananassae, persimilis, willistoni, mojavensis, virilis and grimshawi), illustrate how rates and patterns of sequence divergence across taxa can illuminate evolutionary processes on a genomic scale. These genome sequences augment the formidable genetic tools that have made Drosophila melanogaster a pre-eminent model for animal genetics, and will further catalyse fundamental research on mechanisms of development, cell biology, genetics, disease, neurobiology, behaviour, physiology and evolution. Despite remarkable similarities among these Drosophila species, we identified many putatively non-neutral changes in protein-coding genes, non-coding RNA genes, and cis-regulatory regions. These may prove to underlie differences in the ecology and behaviour of these diverse species.
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  • Manni, Giovanni Li, et al. (författare)
  • The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
  • 2023
  • Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 19:20, s. 6933-6991
  • Tidskriftsartikel (refereegranskat)abstract
    • The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic structure theory, electronic spectroscopy simulations, analytic gradients and molecular structure optimizations, ab initio molecular dynamics, and other new features. This report offers an overview of the chemical phenomena and processes OpenMolcas can address, while showing that OpenMolcas is an attractive platform for state-of-the-art atomistic computer simulations.
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  • Sanchidrián, J.A., et al. (författare)
  • On the accuracy of fragment size measurement by image analysis in combination with some distribution functions
  • 2009
  • Ingår i: Rock Mechanics and Rock Engineering. - : Springer Science and Business Media LLC. - 0723-2632 .- 1434-453X. ; 42:1, s. 95-116
  • Tidskriftsartikel (refereegranskat)abstract
    • Size distributions of fragments of crushed rock in conveyor belts and of blasted rock in a muckpile obtained by sieving are compared with the size distributions obtained by digital image analysis of photographs of the same materials taken on-site. Several calculation methods are tested, based on the raw distribution of fragment areas and on the volume-transformed ones. The influence of the calibration of the system on the results and the performance of the system in a non-calibrated mode are evaluated. The capacity of some distributions (Rosin-Rammler, Swebrec and lognormal) to fit the data in the coarse region (where particles can be delineated, i.e. discriminated individually) and to extrapolate to the non-delineated fines (where particles cannot be outlined and their contour delineated) is assessed. The error between the sizes measured and the sizes of the reference distributions (determined by sieving) increases from the coarse to the fines region. The maximum error at a given size depends primarily on its value relative to the fines cut-off (FCO) of the image analysis. In general, at sizes greater than the FCO, where the system is able to delineate fragments reliably, both volume and surface-based, calibrated, calculations can determine the sizes with maximum error expectancy of about 30%. Below the FCO, only the calibrated, volume calculation maintains a maximum error of 30%, down to sizes of about one fourth the FCO, rapidly increasing for smaller sizes. Where the calibration is done based on data above the FCO, errors can be large below this point, in excess of 80% at sizes half the FCO. In the fines range (sizes smaller than 0.2 times the FCO) the maximum errors can be close to or greater than 100% for most of the calculations and function fittings. Of the distributions tested, all of them are acceptable at sizes above the FCO; below that, the Swebrec function seems to adapt better towards the fines than the Rosin-Rammler and lognormal.
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  • Wimmer, Matthias, et al. (författare)
  • Estudio experimental sobre la volabilidad de las rocas
  • 2008
  • Ingår i: Rocas y Minerales. - 0378-3316. ; 35:439, s. 46-57
  • Tidskriftsartikel (refereegranskat)abstract
    • Este artículo estudia la volabilidad de una roca a través de la piedra crítica, definida ésta como la piedra máxima para la que se rompe completamente la roca desde el barreno a la cara libre. El procedimiento aplicado consiste en perforar y disparar un barreno inclinado desde la cara libre de forma que la piedra aumente con la profundidad a lo largo del barreno y aplicar métodos fotogramétricos y de análisis en 3D para determinar las características de la zona excavada: área excavada, sobreexcavación y anchura a varias profundidades, mediante la obtención de secciones planas de la excavación. La piedra crítica se asocia al mínimo de un factor de forma de la sección excavada. Se han realizado once ensayos de volabilidad a escala real en anfibolita, magnesita y caliza y tres a escala reducida en mortero de magnetita. La piedra crítica define el límite superior que en ningún caso deberá superarse en la práctica. No obstante, para iguales parámetros de voladura, la definición de piedra óptima dependerá del resultado perseguido; si éste es el de optimizar la fragmentación con vistas a la reducción de finos, la piedra óptima será aquella para la que el área de la sección excavada es máxima, que coincidirá con un consumo específico mínimo. El estudio de las áreas excavadas para la piedra óptima obtenidas experimentalmente es igualmente útil para cuantificar interacciones entre barrenos adyacentes y por tanto para deducir el espaciado de barrenos. Finalmente se analiza la influencia de las características geotécnicas de la roca sobre el área de la zona excavada y las piedras críticas y óptimas.
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