Sentence examples for average structure to from inspiring English sources

We employ the reverse Monte Carlo (RMC) optimization of the positions of atoms within a large supercell of the average structure to fit the conventional Bragg scattering together with the pair distribution function (PDF) which describes the probability of two atoms being separated by a distance r.

Based on this average distribution of AE structure in effluent and the HC5 values in Belanger et al. (2006) and Table 19 which are based on the second approach, the HC5 which will be used to represent the aquatic PNEC for the North America would be the range of 0.0983 mg/L (U.S. average structure) to 0.1341 mg/L (Canadian average structure).

This local structure analysis allowed the size of the polar domains, which is elusive from long-range average structure treatments, to be quantified for the first time.

This is unexpected as the average structure at HT has only antiferroelectric correlations.

The incommensurate average structure is insensitive to this and produces Mn/Ni clustering on the B site corresponding to the periodicity of the modulation.

The shape of the average structure is similar to what is expected from the current structural model (Worrall et al., 2011); the main components of the basal body were assigned as YscC and YscDJ rings following this nomenclature and the secretin YscC was assumed inserted into the outer membrane.

These nine structures were averaged, and the resulting average structure was subjected to complete relaxation matrix analysis.

An average structure was subjected to 500 cycles of conjugate gradient energy minimization, yielding the final structure.

Significant edges were then used to build an averaged network structure; 4. we computed sensitivity, specificity and accuracy comparing the averaged network structure to the true one, which is known from the literature.

These structures converged to a maximum pairwise rmsd value of 0.66 Å and were used to calculate an average structure, which was subjected to complete relaxation matrix analysis.

The root mean-square deviation in coordinates with respect to the MD averaged structure converges to 2 3 Å for PX55, PX65, and PX85, but for PX75 and PX95 the root mean-square deviation in coordinates exhibits large fluctuations, indicating an intrinsic instability.