Search results for " state"
showing 10 items of 5973 documents
Ajuste psicológico en cuidadores familiares de adolescentes: un análisis longitudinal durante el confinamiento por la COVID-19 en España
2021
Debido al confinamiento por la COVID-19, las familias españolas tuvieron que adaptarse a nuevas situaciones y rutinas. El objetivo de esta investigación ha sido conocer qué variables explicaban el ajuste psicológico de cuidadores familiares de adolescentes ante la COVID-19, mediante un estudio longitudinal (evaluando primero a las 2-3 semanas del inicio del estado de alarma y después tras 8 semanas de su instauración en España). Participaron 32 progenitores de adolescentes. Tras aceptar participar, se evaluó: clima familiar, satisfacción vital, regulación emocional, resiliencia y psicopatología. Se realizaron modelos de análisis comparativo cualitativo de conjuntos difusos (fsQCA). Nuestros…
Synthesis, characterization of diorganotin(IV) complexes of N-(2-hydroxyarylidene)aminoacetic acid and antitumour screening in vivo in ehrlich ascite…
2001
Some new diorganotin(IV) complexes have been prepared by reacting potassium N-(2-hydroxyarylidene)aminoacetate with R2SnCl2(R = Me,nBu,Ph). The complexes have been characterized by 1H,13C,119Sn NMR, IR and 119mSn Mössbauer spectroscopic techniques in combination with elemental analysis. In the solid state, the complexes possess penta- and hexa-coordinated tin centres. The hexa-coordinated tin complexes were found to dissociate in solution, giving rise to penta-coordinated species as revealed by 119Sn NMR spectroscopy. Antitumour screening in vivo of the complexes L4snPh2,L4SnPh2· Ph3SnCl and L4SntBU2·t Bu2SnCl2 (L4 = N-(2-hydroxyacetophenone)aminoacetate) is also reported. Copyright © 2001 …
Theozyme for antibody aldolases. Characterization of the transition-state analogueElectronic supplementary information (ESI) available: MP2/6-31G** e…
2003
A theozyme for antibody aldolases has been studied at the MP2/6-31G** computational level. Formation of two cooperative hydrogen-bonds between the acidic hydrogen atoms of the enamine and of a methanol molecule with the oxygen atom of the aldol acceptor markedly favors the C–C bond-formation associated with the aldol reaction. A comparative analysis of the geometry, the charge distribution and the shape of the molecular electrostatic potential of the transition structure (TS) with the covalent adduct, resulting from the reaction of methylamine and the β-diketone used as a hapten allows us to characterize the transition-state analogue (TSA) generated at immunization. This finding allows us t…
Sui gruppi unitari finitari e sulla congettura di dieudonné
1996
In this paper we consider some questions concerning unitary spaces (V, h), even though (V, h) is not finitely generated.
Interactions of Ultra-cold Alkaline-earth-like and Alkali Atoms with Light
2019
This paper presents the experimental results of photoionization and photoassociation experiments performed with both ultra-cold alkaline-earth-like and alkali atoms. Photoionization cross-section was studied for 88Sr at the blue magic 390 nm wavelength as well as for 87Rb at 254 nm. We also present preliminary results of photoassociation spectroscopy of the molecular line detected near the dissociation threshold of the excited Rb*Hg molecule at D1 Rb line (795 nm).
Static and Dynamic Properties of a n-C100H202 Melt from Molecular Dynamics Simulations
1997
We present in this work results from atomistic molecular dynamics simulations of a n-C100H202 melt. This work represents a first effort to simulate a fully equilibrated ensemble of chains of suffic...
Comparative chemistry of 18-electron Mo(II) and 17-electron Mo(III) compounds containing only carbon-based ligands
1998
International audience; The chemical reactivity of various kinetically stable isomers of compound CpMo(η3-C3H5)(η4-C4H6), 1, and its oxidation product [1]+, as well as the bis-allyl Mo(III) complex CpMo(η3-C3H5)2, 2, and the bis-diene Mo(II) complex [CpMo(η4-C4H6)2]+, 3, is reviewed. The inertness toward isomerization processes of the allyl and butadiene ligands in the Mo(II) complexes has allowed a study of the relative reactivity toward both electrophilic and nucleophilic addition processes as a function of coordination mode. The dependence of various reaction pathways on the metal oxidation state has also been investigated. Of particular interest is the discovery that the electronically …
Optical measurements of ground-state properties of short-lived nuclei in resonance cells
1985
Hyperfine structure and isotope shift of radioactive Hg, Au and Cd isotopes have been determined by optical spectroscopy. In all cases the atoms were confined in a resonance cell. The various variants of the cell technique and alternative methods as the resonance ionization spectroscopy related to the investigation of short-lived nuclei are described, and some results are discussed.
Fabrication of Billet from Aluminum Alloys AA 2011-T3/7075 Chips through Friction Stir Consolidation
2022
Recently evolving Solid-State Recycling (SSR) techniques have shown promising features to recycle metals scraps more efficiently compared to remelting-based approaches. Among these SSR methods, Friction Stir Consolidation (FSC) has been successfully tested to transform metals chips directly into semi or final solid products. Therefore, researchers explored FSC critical process parameters and their subsequent effects on quality in terms of the mechanical and metallurgical properties of the billet. All the previous studies of FSC were limited to developing billet of mono materials. Therefore, in this research, an attempt was made to go beyond the idea of recycling; in fact, a billet of two di…
A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory
2009
A modified ansatz for explicitly correlated coupled-cluster wave functions with a single correlation factor is set forward. It is based on the fixed amplitude ansatz of Ten-no [Chem. Phys. Lett. 398, 56 (2004)] to which an extra term is added that allows for the explicitly correlated description of singly excited configurations. The new approach has been implemented for coupled-cluster singles and doubles with the aid of automated techniques. Numerical results are presented for vertical excitation energies, and ground and excited state equilibrium distances and harmonic frequencies of diatomics. The new approach is shown to provide a nearly unbiased description of ground and predominantly s…