Results 271 to 280 of about 280,948 (347)

Efficacy and parameter selection of transcranial alternating current stimulation in sleep regulation. [PDF]

open access: yesChin Med J (Engl)
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Theoretical studies of off-centre Sc3+ impurities in CeO2

Journal of Physics and Chemistry of Solids, 1989
Abstract We report results of a computer simulation study of the structure of an isolated Sc 3+ substitutional ion in doped ceria. It is shown that there is a stable low symmetry dipolar structure for the Sc impurity, in which the surrounding cage of eight oxygen ions is distorted more so than the Sc ion itself.
C Richard A Catlow
exaly   +3 more sources

Placing ethnicity at the centre of studies of later life: theoretical perspectives and empirical challenges

Ageing and Society, 2014
ABSTRACTResearch on minority ethnic ageing remains a neglected area within mainstream race and ethnicity studies as well as that of social gerontology. This paper examines the background and reasons for this, arguing that a focus on minority ethnic issues provides a reminder of the complexity of the lifecourse, and of the diversity of ageing as a ...
C. Phillipson
openaire   +3 more sources

Ab initio theoretical study of three-centre bonding on the basis of bond index

Computational and Theoretical Chemistry, 2000
Abstract Various methods of derivation of a multi-centre bond index and its physical significance are briefly discussed. The usefulness of the bond index model for the study of three-centre (3c) bonding is illustrated by taking a number of examples chosen from earlier calculations.
A B Sannigrahi, T Kar
exaly   +2 more sources

Theoretical Studies on the F‐Centre in Alkali Halides

Physica Status Solidi (B): Basic Research, 1969
AbstractThe results of the theoretical study of the electronic states of the R+‐centre in alkali halides are reported. No empirical parameters are used in this calculation. The electronic core polarization is taken into account. The results of the calculation are in satisfactory agreement with the experimental data and can be considered as a ...
R A Evarestov
exaly   +2 more sources

Formation of two centre three electron bond by hydroxyl radical induced reaction of thiocoumarin: evidence from experimental and theoretical studies

Free Radical Research, 2019
Radiation chemical studies of thioesculetin (1), a thioketone derivative of coumarin, were performed by both pulse radiolysis technique and DFT calculations. Hydroxyl (•OH) radical reaction with 1 resulted transients absorbing at 320, 360 and 500 nm. To identify the nature of the transients, the reaction was studied with specific one-electron oxidant ...
Ayesha Khan, Atanu Barik
exaly   +3 more sources

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