Search results for "methods"
showing 10 items of 4526 documents
Theoretical study of the electronic spectra ofcis-1,3,5-hexatriene andcis-1,3-butadiene
1994
The electronic spectra forcis-1,3-butadiene andcis-1,3,5-hexatriene have been studied using multiconfiguration second-order perturbation theory (CASPT2) and extended ANO basis sets. The calculations comprise all singlet valence excited states below 8.0 eV, the first 3s, 3p, 3d Rydberg states, and the second 3s state. The four lowest triplet states were also studied. The resulting excitation energies forcis-hexatriene have been used in an assignment of the experimental spectrum, leading to a maximum deviation of 0.13 eV for the vertical transition energies. The calculations place the 11 B 2 state 0.04 eV below the 21 A 1 state. 16 excited states were studied incis-butadiene, using a CASPT2 o…
Understanding the trend in the Curie temperatures ofCo2-based Heusler compounds:Ab initiocalculations
2007
The Curie temperatures for the Heusler compounds Co{sub 2}TiAl, Co{sub 2}VGa, Co{sub 2}VSn, Co{sub 2}CrGa, Co{sub 2}CrAl, Co{sub 2}MnAl, Co{sub 2}MnSn, Co{sub 2}MnSi, and Co{sub 2}FeSi are determined ab initio from the electronic structure obtained with the local-density functional approximation and/or the generalized gradient approximation. Frozen spin spirals are used to model the excited states needed to evaluate the spherical approximation for the Curie temperature. The spherical approximation is found to describe the experimental Curie temperatures very well which, for the compounds selected, extend over the range from 95 to 1100 K; as a function of the valence electron count, they sho…
Valeurs de référence du valproate de sodium (CAS n°1069-66-5). Valeurs toxicologiques de référence par voie orale et inhalation, valeurs limites d’ex…
2021
Le site de Sanofi situé à Mourenx, dans le bassin industriel de Lacq (64), produit un médicament antiépileptique, la Dépakine®, dont le principe actif est le valproate de sodium (VPS). Ce site est une installation classée pour la protection de l’environnement (ICPE) soumise à autorisation au titre de l’article L.511-1 et suivants du Code de l’environnement. Les rejets dans l’environnement d’une telle installation sont encadrés par des limites établies sur la base d’une évaluation quantitative des risques sanitaires (EQRS). En 2017, Sanofi Chimie a réalisé une évaluation de l’impact sur la santé et l’environnement des rejets atmosphériques de valproate, en utilisant des valeurs toxicologique…
Validation procedures in radiological diagnostic models. Neural network and logistic regression
1999
The objective of this paper is to compare the performance of two predictive radiological models, logistic regression (LR) and neural network (NN), with five different resampling methods. One hundred and sixty-seven patients with proven calvarial lesions as the only known disease were enrolled. Clinical and CT data were used for LR and NN models. Both models were developed with cross validation, leave-one-out and three different bootstrap algorithms. The final results of each model were compared with error rate and the area under receiver operating characteristic curves (Az). The neural network obtained statistically higher Az than LR with cross validation. The remaining resampling validatio…
Medicīniskās terminoloģijas mācīšana augstskolas līmenī
2016
Šī maģistra darba mērķis ir izpētīt veiksmīgākos medicīniskās terminoloģijas pasniegšanas metodes augstskolas līmeņa studentiem. Izmantojot triangulācijas metodi, autore analizēja augstskolas pasniedzēju, praktizējošo fizioterapeitu un studentu viedokļus par fizioterapijas specialitātes medicīniskās terminoloģijas atlasi un mācīšanas veidiem. Teorētiskajā daļā autore apskata dažādas terminoloģijas mācīšanas klasifikācijas un medicīniskā diskursa īpatnības. Apkopojot praktiskās daļas rezultātus, darba autore secinaja, ka veiksmīgākie medicīniskās terminoloģijas pasniegšanas paņēmieni ir priedēkļu un piedēkļu mācīšana, vārdu atpazīšana no konteksta, mnemoniskie uzdevumi, asociāciju veidošana …
Evaluación multicriterio de políticas de uso y gestión de recursos naturales
2014
The purpose of this work is show the characteristics of different environmental economic assessment methodologies, and exposes a case study where possible alternatives addressed to reduce the contamination of a bay with multicriteria approach are evaluated. The results obtained show the effectiveness of multicriteria analysis to evaluate the alternatives for solution of contamination problem in a bay. Economic evaluation of the contamination effects integrated to the environmental, social and economic dimensions through multicriteria techniques allows an alternative planning to solve the environmental problem studied, providing the right decision.
Mapping and assessing ecosystem services in the EU:Lessons learned from the ESMERALDA approach of integration
2018
The European Union (EU) Horizon 2020 Coordination and Support Action ESMERALDA aimed at developing guidance and a flexible methodology for Mapping and Assessment of Ecosystems and their Services (MAES) to support the EU member states in the implementation of the EU Biodiversity Strategy's Target 2 Action 5. ESMERALDA's key tasks included network creation, stakeholder engagement, enhancing ecosystem services mapping and assessment methods across various spatial scales and value domains, work in case studies and support of EU member states in MAES implementation. Thus ESMERALDA aimed at integrating various project outcomes around four major strands: i) Networking, ii) Policy, iii) Research an…
Design of Scales to Assess the subjective social value of education for students in primary and secondary school.
2017
Abstract The devaluation of education, related with multiple socio-economic and psycho-school factors may be influencing decisively on academic results. A target level is observed that the socio-economic and cultural level of families can decide the student performance, however, this international trend shows inconsistent results. In addition, in different studies, we can observe that students from disadvantaged backgrounds statistics exceed expectations in performance, surpassing the expected results depending on their socioeconomic and cultural level; and students should achieve optimal results for their family situation do not get the expected performance. An interpretative hypothesis ma…
A discontinuous Galerkin formulation for variable angle tow composite plates higher-order theories
2020
A discontinuous Galerkin formulation for the mechanical behaviour of Variable Angle Tow multi-layered composite plates is presented. The starting point of the formulation is the strong form of the governing equations, which are obtained by means of the Principle of Virtual Displacement, the Generalized Unified Formulation and the Equivalent Single Layer assumption for the mechanical behaviour of the whole assembly. To obtain the corresponding discontinuous Galerkin formulation, an auxiliary flux variable is introduced and the governing equations are rewritten as a first-order system of partial differential equations. To link neighbouring mesh elements, suitably defined numerical fluxes are …
Nonlinear elliptic equations with asymmetric asymptotic behavior at $pminfty$
2016
We consider a nonlinear, nonhomogeneous Dirichlet problem with reaction which is asymptotically superlinear at $+infty$ and sublinear at $-infty$. Using minimax methods together with suitable truncation techniques and Morse theory, we show that the problem has at least three nontrivial solutions one of which is negative.