Sentence examples for calculations and density from inspiring English sources
Plane-wave pseudopotential calculations and density functional theory calculations on clusters were used to predict bond lengths and thus d sr, λ (= λ IS + λ OS ), ε r, and contributed to the determination of β.
The computational model calculation and density functional theory (DFT) study also support these data.
The power input calculations and the energy density response predictions are verified using modal analysis for different coherence conditions between the random excitation forces.
Nuclear reactions may then have occurred much less efficiently per proton and neutron nucleus than accounted for by standard calculations, and the average density of matter may be correspondingly increased perhaps even to the point where ordinary matter can close the present-day universe.
He has long been working on correlation calculation methods for ab initio and density functional calculations in Computational Chemistry.
Satisfactory results were obtained for vapour pressure and density calculations.
We introduce a new multilevel domain decomposition method (MDD) for electronic structure calculations within semi-empirical and density functional theory (DFT) frameworks.
XPS indicated that [Bi/Nb]N bonds were formed by inducing nitrogen to replace a small amount of oxygen in Bi3NbO7−xNx, which is explained by electronic structure calculations including energy band and density of states.
After a periodontal examination, D-speed vertical bite-wing and periapical radiographs with aluminum stepwedges and a density correction algorithm were used to make alveolar process fractal dimension and density calculations within regions of interest that avoided crestal bone and intrabony defects.
This concerns ab-initio coupling, numerical calculations for mechanical aspects and density functional theory (DFT) to study chemical reactivity.
The morphology of the Ag NPs was characterized by scanning electron microscopy (SUPRA 55 SAPPHIRE, Carl Zeiss AG, Jena, Germany), and the size and density calculations were performed with the assistance of Smile View software.
