Search results for "valence"
showing 10 items of 2732 documents
Anthropometric measures of 9-to 10-year-old native tibetan children living at 3700 and 4300m above sea level and han Chinese living at 3700m
2015
A high residential altitude impacts on the growth of children, and it has been suggested that linear growth (height) is more affected than body mass. The aim of the present study was to estimate the prevalence of obesity, overweight, underweight, and stunting in groups of native Tibetan children living at different residential altitudes (3700 vs 4300 m above sea level) and across ancestry (native Tibetan vs Han Chinese children living at the same altitude of 3700 m), as well as to examine the total effect of residential altitude and ancestry with stunting. Two cross-sectional studies of 1207 school children aged 9 to 10 years were conducted in Lhasa in 2005 and Tingri in 2007. Conventional …
Prevalence and characteristics of antidepressant drug prescriptions in older Italian patients.
2012
ABSTRACTBackground: During last few decades, the proportion of elderly persons prescribed with antidepressants for the treatment of depression and anxiety has increased. The aim of this study was to evaluate prevalence of antidepressant prescription and related factors in elderly in-patients, as well as the consistency between prescription of antidepressants and specific diagnoses requiring these medications.Methods: Thirty-four internal medicine and four geriatric wards in Italy participated in the Registro Politerapie SIMI–REPOSI study during 2008. In all, 1,155 in-patients, 65 years or older, were enrolled. Prevalence of the use of antidepressants was calculated at both admission and dis…
Association between clusters of diseases and polypharmacy in hospitalized elderly patients: results from the REPOSI study.
2011
BACKGROUND: Although the association between multimorbidity and polypharmacy has been clearly documented, no study has analyzed whether or not specific combinations of diseases influence the prescription of polypharmacy in older persons. We assessed which clusters of diseases are associated with polypharmacy in acute-care elderly in-patients. METHODS: This cross-sectional study was held in 38 Italian internal medicine and geriatric wards participating in the Registro Politerapie SIMI (REPOSI) study during 2008. The study sample included 1155 in-patients aged 65 years or older. Clusters of diseases, defined as two or more co-occurring specific chronic diseases, were identified using the odds…
Common fixed points of g-quasicontractions and related mappings in 0-complete partial metric spaces
2012
Abstract Common fixed point results are obtained in 0-complete partial metric spaces under various contractive conditions, including g-quasicontractions and mappings with a contractive iterate. In this way, several results obtained recently are generalized. Examples are provided when these results can be applied and neither corresponding metric results nor the results with the standard completeness assumption of the underlying partial metric space can. MSC:47H10, 54H25.
Half-Heusler compounds: novel materials for energy and spintronic applications
2012
Half-Heusler compounds are an impressive class of materials with a huge potential for different applications such as future energy applications and for spintronics. The semiconducting Heusler compounds can be identified by the number of valence electrons. The band gap can be tuned between 0 and 4 eV by the electronegativity difference of the constituents. Magnetism can be introduced in these compounds by using rare-earth elements, manganese or ‘electron’ doping. Thus, there is a great interest in the fields of thermoelectrics, solar cells and diluted magnetic semiconductors. The combination of different properties such as superconductivity and topological edge states leads to new multifunct…
Band gap of corundumlike α−Ga2O3 determined by absorption and ellipsometry
2017
The electronic structure near the band gap of the corundumlike $\ensuremath{\alpha}$ phase of ${\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400--190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which y…
Spectroscopic study of the electric field induced valence change of Fe-defect centers in SrTiO(3)
2011
The electrochemical changes induced by an electric field in Fe-doped SrTiO(3) have been investigated by X-ray absorption spectroscopy (XANES and EXAFS), electron paramagnetic resonance (EPR) and Raman spectroscopy. A detailed study of the Fe dopant in the regions around the anode and cathode reveals new insights into the local structure and valence state of Fe in SrTiO(3) single crystals. The ab initio full multiple-scattering XANES calculations give an evidence of the oxygen vacancy presence in the first coordination shell of iron. Differences in the length and disorder of the Fe-O bonds as extracted from EXAFS are correlated to the unequivocal identification of the defect type by compleme…
Simulations of the effect of the contact energy levels on a simple model of a hot carrier cell
2016
In the present work, the performance of a simplified model of a hot carrier cell is examined at different energy levels of carrier collection. Incident photons, Monte Carlo generated by employing the ASTM G173-03 data set, are accounted for individually as they interact with the cell. It is assumed that the carriers can be collected ultra-fast, thus avoiding considering hot carrier thermalisation effects. Although the model is preliminary and lacking some mechanisms of hot carrier cells, it has been demonstrated that the present approach to modelling hot carrier solar cells can be developed into fully working models. Some effects of the absorption energy levels in the valence band have been…
Coupled-Cluster study of ‘no-pair’ bonding in the tetrahedral Cu4 cluster
2011
Abstract Ab initio Coupled-Cluster calculations with single and double excitations and perturbative correction to the triple, CCSD(T), have been carried out for the high-spin electronic state, ( 5 A 2 ) , of the copper cluster Cu 4 in its tetrahedral arrangement. Like alkali metals clusters, tetrahedral Cu 4 presents a bound quintet state, i.e., a situation where all the valence electrons are unpaired. This rather exotic wavefunction, also known as no-pair bonding state, is examined in detail. The influence of the basis set is also analyzed, as well as the importance of the core correlation and the effect of the basis-set superposition errors.
Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.
2014
International audience; The reversible redox isomerisms in first row transition metal complexes of the type ML2 were studied. The six ML2 complexes (M = Mn(III) (), Fe(II) (), Co(III) (), Ni(II) (), Cu(II) () and Zn(II) ()) were synthesized with a redox active Schiff base ligand [2-(3,5-di-tert-butyl-2-hydroxyphenylamino)-4-chlorophenol] (H3L) presenting different oxidation states from -2 to 0 (L(2-), L(-) and L(0)). EPR spectra and magnetic susceptibility measurements indicate the presence of complexes of the type [Mn(III)(L(2-))(L(-))] () with S = 1/2, [Fe(II)(L(-))2] () with S = 2, [Co(III)(L(2-))(L(-))] () with S = 1/2, [Ni(II)(L(-))2] () with S = 1, [Cu(II)(L(-))2] () with S = 1/2 and …