Search results for " space"
showing 10 items of 4562 documents
Theoretical spectroscopy of organic systems
1999
Abstract The complete active space (CAS) SCF method in conjunction with the multiconfigurational second-order perturbation theory (CASPT2) has been applied to study the electronically excited states of basic organic compounds. As shown in the lecture with a number of examples, the CASPT2 method is capable of yielding accurate results for relative energies and other properties of excited states, provided that flexible one-electron basis sets are employed. The applications comprise an ample range of systems and problems, including polyenes, conjugated and unconjugated dienes, alternant and nonalternant hydrocarbons, polyenals, etc. As a whole these studies enable both qualitative and quantita…
Grid methods and Hilbert space basis for simulations of quantum dynamics
1999
We discuss spatial grid methods adapted to the structure of Hilbert spaces, used to simulate quantum mechanical systems. We review the construction of Finite Basis Representation (FBR) and the Discrete Variable Representation (DVR). A mixed representation (pseudo-spectral method) is constructed through a quadrature relation linking both bases.
How to learn a conceptual space
2005
the experiments proposed in the article by steels & belpaeme (s&b) can be considered as a starting point toward a general methodology for the automatic learning of conceptual spaces.
Theoretical absorption and emission spectra of 1H- and 2H-benzotriazole
2003
Excitation energies, dipole moments, and transition properties for the lowest-lying 1(π, π*) and 1(n, π*) electronic states of two benzotriazole tautomers have been studied at the complete active space (CAS) SCF and multiconfigurational second-order perturbation (CASPT2) levels. With these results, the UV absorption spectra of 1H- and 2H-benzotriazole were first described individually, and then they were considered simultaneously in order to better understand the experimental, observed spectrum of benzotriazole. Aspects of the fluorescence of the compound have been also analyzed. The spectrum of benzotriazole is finally related to those of other azo-compounds.
The radio science experiment with BepiColombo mission to Mercury
2016
BepiColombo is a joint ESA/JAXA mission to Mercury with challenging objectives regarding geophysics, geodesy and fundamental physics. The Mercury Orbiter Radio science Experiment (MORE) is one of the on-board experiments, including three different but linked experiments: gravimetry, rotation and relativity. Using radio observables (range and range-rate) performed with very accurate tracking from ground stations, together with optical observations from the on-board high resolution camera (SIMBIO-SYS) and accelerometer readings from the on-board accelerometer (ISA), MORE will be able to measure with unprecedented accuracy the global gravity field of Mercury and the rotation state of the plane…
PINCoC: a Co-Clustering based Method to Analyze Protein-Protein Interaction Networks
2007
Anovel technique to search for functionalmodules in a protein-protein interaction network is presented. The network is represented by the adjacency matrix associated with the undirected graph modelling it. The algorithm introduces the concept of quality of a sub-matrix of the adjacency matrix, and applies a greedy search technique for finding local optimal solutions made of dense submatrices containing the maximum number of ones. An initial random solution, constituted by a single protein, is evolved to search for a locally optimal solution by adding/removing connected proteins that best contribute to improve the quality function. Experimental evaluations carried out on Saccaromyces Cerevis…
Evidence for shifts in the structure and abundance of the microbial community in a long-term PCB-contaminated soil under bioremediation.
2011
International audience; Although the impact of bioremediation of PCB-contaminated sites on the indigenous microbial community is a key question for soil restoration, it remains poorly understood. Therefore, a small-scale bioremediation assay made of (a) a biostimulation treatment with carvone, soya lecithin and xylose and (b) two bioaugmentation treatments, one with a TSZ7 mixed culture and another with a Rhodococcus sp. Z6 pure strain was set up. Changes in the structure of the global soil microbial community and in the abundances of different taxonomic phyla were monitored using ribosomal intergenic spacer analysis (RISA) and real-time PCR. After an 18-month treatment, the structure of th…
Use of Biocides for the Control of Fungal Outbreaks in Subterranean Environments: The Case of the Lascaux Cave in France
2012
The Lascaux Cave in France suffered an outbreak of the fungus Fusarium solani in 2001. Biocides were applied for three years to control this outbreak. Four months after the initial biocide application, a new outbreak appeared in the form of black stains that progressively invaded the cave. The black stains on the ceiling and passage banks were so evident by 2007 that they became one of the caves major problems. Therefore, biocides were used again in 2008. The present study investigated the fungal communities associated with the black stains and the effectiveness of the biocides applied, by using cloning, denaturing gradient gel electrophoresis, and culture-dependent methods. A novel species…
Reproducing kernel hilbert spaces regression methods for genomic assisted prediction of quantitative traits.
2008
Abstract Reproducing kernel Hilbert spaces regression procedures for prediction of total genetic value for quantitative traits, which make use of phenotypic and genomic data simultaneously, are discussed from a theoretical perspective. It is argued that a nonparametric treatment may be needed for capturing the multiple and complex interactions potentially arising in whole-genome models, i.e., those based on thousands of single-nucleotide polymorphism (SNP) markers. After a review of reproducing kernel Hilbert spaces regression, it is shown that the statistical specification admits a standard mixed-effects linear model representation, with smoothing parameters treated as variance components.…
EVpedia: a community web portal for extracellular vesicles research
2014
Abstract Motivation: Extracellular vesicles (EVs) are spherical bilayered proteolipids, harboring various bioactive molecules. Due to the complexity of the vesicular nomenclatures and components, online searches for EV-related publications and vesicular components are currently challenging. Results: We present an improved version of EVpedia, a public database for EVs research. This community web portal contains a database of publications and vesicular components, identification of orthologous vesicular components, bioinformatic tools and a personalized function. EVpedia includes 6879 publications, 172 080 vesicular components from 263 high-throughput datasets, and has been accessed more tha…