Sentence examples for based on periodic density from inspiring English sources

The interaction of molecular oxygen with Pt(1 1 1) has been studied using ab initio molecular dynamics simulations based on periodic density functional theory (DFT) calculations.

The mechanisms of hydrazine decompositions on Ir(1 1 1) have been investigated by using slab model based on periodic density functional theory (DFT).

The study is based on periodic density functional theory calculations carried out for the reaction between ethene and atomic oxygen on the Ag(111) surface, taken as a model catalyst, in the presence of coadsorbed halogens.

The structure of water layers above hydrogen-covered Pt(1 1 1) surfaces at room temperature has been studied by ab initio molecular dynamics simulations based on periodic density functional theory calculations.

It will be demonstrated that ab initio molecular dynamics simulations based on periodic density functional theory calculations can contribute to an understanding of the structures and reactions at water/metal interfaces.

Here, based on periodic density-functional theory (DFT) output, a heuristic numerical indicator is constructed to assess s p orbital mixing in materials (or, depending on one׳s viewpoint, the tendency toward "sp3 hybridization").

They use a feature-based approach based on periodic non-uniform sampling.

Our two skin biopsy laboratories have been following a yearly quality control programme for all the steps of the procedure that has guaranteed the inter-laboratory agreement on the quantification of IENF density, based on periodic exchange of slides for blind counting.

A feature-based approach for spectrum sensing based on periodic non-uniform sampling is addressed.

Finite-element simulations of the current and potential in several cathode/anode array configurations are presented to illustrate the difficulty in obtaining relatively uniform current densities in 3-D batteries based on periodic elements.

It also wants government departments to publish reports based on periodic independent audits.