Sentence examples for calculation of the structure from inspiring English sources

However, none of these methods allows for the direct calculation of the structure from the data.

A 13C NMR calculation of the structure models was carried out, the result of which fitted well with the experimental spectrum of the sample, as illustrated in Figs. 10 and 11.

Calculation of the structure factor of the supersaturated solid solution suggests that weaker diffracted intensity of the superlattice reflections is attributed to the nitrogen atoms at octahedral holes of the edges in fcc lattice.

Results of first-principles calculations on the structure and electronic structure of amorphous WO3 are presented.

It is based on the calculation of the structured singular value, μ RP (where RP stands for robust performance), by solving the following minimization problem: (6) μ R P (M ) = (min Δ { k m | det (I − k m M Δ ) = 0 for structured and normalized  Δ ) } ) − 1 where I is the identity matrix, and k m a scalar factor.

Calculations of the structure and energy of compounds dominate the DFT literature.

This Letter is organized as follows: "Fullerene and nanotube structures" section presents the DFT calculations of the structure of the C20 and Fe@C20 fullerenes and the PM3 calculations of the structure of the (8,8) nanotube.

The experimental values agree well with calculations of the structure factors based on density functional theory.

This paper presents the first detailed numerical calculations of the structure of carbon monoxide-hydrogen-oxygen-argon flames inhibited by CF3H.

By using Dmol3 module of the Materials Studio software, the research did calculations of the structure of the SDV molecular model which had been optimized through molecular dynamics and molecular mechanics calculations, and obtained its bond order, bond length, and electronic layouts charge number.

Using Dmol3 module of the Materials Studio software, the research made calculations of the structure of the SDI molecular model, which has been optimized through molecular dynamics and molecular mechanics calculations, and obtained its bond order, bond length, and electronic layouts charge number.