I sistemi informativi in sala operatoria: I principali strumenti per il controllo e l'aumento dell'efficienza.

Efficienza di Sala Operatoria.

Manual d'informàtica i de tecnologies per a la traducció

Aquest llibre cobreixen la major part dels continguts de l'assignatura Tecnologies de la Traducció que cursara l'alumnat de segon curs del grau en Traducció i Interpretació de la Universitat d’Alacant; també pot ser útil per a assignatures similars en altres universitats (per aixo s’hi ha inclòs material mes avançat que no s'estudia en Tecnologies de la Traducció).

Noves (i velles) didàctiques per a ensenyar llengua i literatura amb les TIC

Aquest article parteix de la hipòtesi inicial que les eines TIC presenten un gran potencial per millorar els processos d'ensenyament i aprenentatge de la llengua i la literatura, però que aquesta potencialitat (COLL: 2008) només es pot fer efectiva quan es fonamenta en una sòlida formació del professorat i quan l'ús de les TIC s'integra en metodologies actives que atorguen el protagonisme a l'estudiant i que se centren en l'acompanyament al llarg del procés, com els treballs per projectes o les seqüències didàctiques (SD) (CAMPS: 1994). Per desenvolupar aquest plantejament, primerament argumentaré la necessitat d'una formació dels docents que ha d'incloure tant la integració de les eines i dels recursos tecnològics que tenim al nostre abast, com els coneixements sobre els continguts que volem ensenyar i els coneixements pedagògics sobre com s'ensenya i com s'aprèn. I, tot seguit, em centraré en les característiques de les SD i en les possibilitats que obren per integrar els avenços que la recerca en didàctica de la llengua i de la literatura ha posat de manifest, i defensaré que són el millor marc per a un ús significatiu de les tecnologies de la informació i de la comunicació.

I Capibrevi, ora per la prima volta pubblicati da Giuseppe Silvestri.

Vol. 3, fasc. [5], edited by Giuseppe La Mantia; "Avvertimento" (V.3, p. [613]-616) dated 1907.

Principii teorico-pratici di stilistica, versificazione e metrica italiana. Secondo i programmi governativi per la 4a classe ginnasiale ed altre scuole medie.

Mode of access: Internet.

I miei integrafi per equazioni differenziali.

Available on demand as hard copy or computer file from Cornell University Library.

Estudio del proceso de calificación energética de un edificio de salida de telecabinas situado en Espui ‪(‬Lleida‪)‬ mediante herramientas de simulación energética

Per tal que un edifici de sortida de telecabines d'Espui obtingui una qualificació energètica, es fa un estudi mitjançant sistemes de simulació energètica

Modeling of hybrid systems by piecewise decomposition

Piecewise linear models systems arise as mathematical models of systems in many practical applications, often from linearization for nonlinear systems. There are two main approaches of dealing with these systems according to their continuous or discrete-time aspects. We propose an approach which is based on the state transformation, more particularly the partition of the phase portrait in different regions where each subregion is modeled as a two-dimensional linear time invariant system. Then the Takagi-Sugeno model, which is a combination of local model is calculated. The simulation results show that the Alpha partition is well-suited for dealing with such a system

Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field

We developed a procedure that combines three complementary computational methodologies to improve the theoretical description of the electronic structure of nickel oxide. The starting point is a Car-Parrinello molecular dynamics simulation to incorporate vibrorotational degrees of freedom into the material model. By means ofcomplete active space self-consistent field second-order perturbation theory (CASPT2) calculations on embedded clusters extracted from the resulting trajectory, we describe localized spectroscopic phenomena on NiO with an efficient treatment of electron correlation. The inclusion of thermal motion into the theoretical description allowsus to study electronic transitions that, otherwise, would be dipole forbidden in the ideal structure and results in a natural reproduction of the band broadening. Moreover, we improved the embedded cluster model by incorporating self-consistently at the complete active space self-consistent field (CASSCF) level a discrete (or direct) reaction field (DRF) in the cluster surroundings. The DRF approach offers an efficient treatment ofelectric response effects of the crystalline embedding to the electronic transitions localized in the cluster. We offer accurate theoretical estimates of the absorption spectrum and the density of states around the Fermi level of NiO, and a comprehensive explanation of the source of the broadening and the relaxation of the charge transferstates due to the adaptation of the environment

A variational approach for calculating Franck-Condon factors including mode-mode anharmonic coupling

We have implemented our new procedure for computing Franck-Condon factors utilizing vibrational configuration interaction based on a vibrational self-consistent field reference. Both Duschinsky rotations and anharmonic three-mode coupling are taken into account. Simulations of the first ionization band of Cl O2 and C4 H4 O (furan) using up to quadruple excitations in treating anharmonicity are reported and analyzed. A developer version of the MIDASCPP code was employed to obtain the required anharmonic vibrational integrals and transition frequencies

Fronts from complex two-dimensional dispersal kernels: theory and application to Reid's paradox

Bimodal dispersal probability distributions with characteristic distances differing by several orders of magnitude have been derived and favorably compared to observations by Nathan [Nature (London) 418, 409 (2002)]. For such bimodal kernels, we show that two-dimensional molecular dynamics computer simulations are unable to yield accurate front speeds. Analytically, the usual continuous-space random walks (CSRWs) are applied to two dimensions. We also introduce discrete-space random walks and use them to check the CSRW results (because of the inefficiency of the numerical simulations). The physical results reported are shown to predict front speeds high enough to possibly explain Reid's paradox of rapid tree migration. We also show that, for a time-ordered evolution equation, fronts are always slower in two dimensions than in one dimension and that this difference is important both for unimodal and for bimodal kernels

Development and validation of AMANDA, a new algorithm for selecting highly relevant regions in Molecular Interaction Fields

Descriptors based on Molecular Interaction Fields (MIF) are highly suitable for drug discovery, but their size (thousands of variables) often limits their application in practice. Here we describe a simple and fast computational method that extracts from a MIF a handful of highly informative points (hot spots) which summarize the most relevant information. The method was specifically developed for drug discovery, is fast, and does not require human supervision, being suitable for its application on very large series of compounds. The quality of the results has been tested by running the method on the ligand structure of a large number of ligand-receptor complexes and then comparing the position of the selected hot spots with actual atoms of the receptor. As an additional test, the hot spots obtained with the novel method were used to obtain GRIND-like molecular descriptors which were compared with the original GRIND. In both cases the results show that the novel method is highly suitable for describing ligand-receptor interactions and compares favorably with other state-of-the-art methods.

Suitability of GRIND-based principal properties for the description of molecular similarity and ligand-based virtual screening

The information provided by the alignment-independent GRid Independent Descriptors (GRIND) can be condensed by the application of principal component analysis, obtaining a small number of principal properties (GRIND-PP), which is more suitable for describing molecular similarity. The objective of the present study is to optimize diverse parameters involved in the obtention of the GRIND-PP and validate their suitability for applications, requiring a biologically relevant description of the molecular similarity. With this aim, GRIND-PP computed with a collection of diverse settings were used to carry out ligand-based virtual screening (LBVS) on standard conditions. The quality of the results obtained was remarkable and comparable with other LBVS methods, and their detailed statistical analysis allowed to identify the method settings more determinant for the quality of the results and their optimum. Remarkably, some of these optimum settings differ significantly from those used in previously published applications, revealing their unexplored potential. Their applicability in large compound database was also explored by comparing the equivalence of the results obtained using either computed or projected principal properties. In general, the results of the study confirm the suitability of the GRIND-PP for practical applications and provide useful hints about how they should be computed for obtaining optimum results.

Algebraic decay of velocity fluctuations in a confined fluid

Computer simulations of a colloidal particle suspended in a fluid confined by rigid walls show that, at long times, the velocity correlation function decays with a negative algebraic tail. The exponent depends on the confining geometry, rather than the spatial dimensionality. We can account for the tail by using a simple mode-coupling theory which exploits the fact that the sound wave generated by a moving particle becomes diffusive.